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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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/8fcs-83464ff4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8fcs-83464ff4/inputs/seq.fa: 1
curr_seq: _GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGAGGAGGCAAGAUGCUGGCAUAGCUGUUGAACUGGGAACCUGCUAUGCCAACAUAUUGCCAUCUUUCC
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 71 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: 360
n_atoms_counter: 360
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 71.000000 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: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -282.207681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.207681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.207681 (E_RNA)
where:
Base-Base interactions energy: -5.572
where: short stacking energy: -5.572
Base-Backbone interact. energy: -0.000
local terms energy: -276.635987
where:
bonds (distance) C4'-P energy: -68.982
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -31.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -400.579610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.579610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.579610 (E_RNA)
where:
Base-Base interactions energy: -184.716
where: short stacking energy: -184.239
Base-Backbone interact. energy: -0.188
local terms energy: -215.675709
where:
bonds (distance) C4'-P energy: -46.509
bonds (distance) P-C4' energy: -39.055
flat angles C4'-P-C4' energy: -52.650
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -42.463
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: 2
Temperature: 0.950000
Total energy: -359.323900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.323900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.323900 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -147.936
Base-Backbone interact. energy: -1.277
local terms energy: -198.238846
where:
bonds (distance) C4'-P energy: -44.360
bonds (distance) P-C4' energy: -45.529
flat angles C4'-P-C4' energy: -41.775
flat angles P-C4'-P energy: -36.667
tors. eta vs tors. theta energy: -29.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -333.393766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.393766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.393766 (E_RNA)
where:
Base-Base interactions energy: -133.047
where: short stacking energy: -132.972
Base-Backbone interact. energy: -0.634
local terms energy: -199.713316
where:
bonds (distance) C4'-P energy: -44.349
bonds (distance) P-C4' energy: -49.470
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -29.810
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -328.314474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.314474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.314474 (E_RNA)
where:
Base-Base interactions energy: -138.912
where: short stacking energy: -135.939
Base-Backbone interact. energy: -0.938
local terms energy: -188.464412
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -50.100
flat angles P-C4'-P energy: -28.023
tors. eta vs tors. theta energy: -32.682
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: 2
Temperature: 1.100000
Total energy: -367.377357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.377357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.377357 (E_RNA)
where:
Base-Base interactions energy: -197.470
where: short stacking energy: -126.500
Base-Backbone interact. energy: 1.565
local terms energy: -171.471653
where:
bonds (distance) C4'-P energy: -47.055
bonds (distance) P-C4' energy: -39.542
flat angles C4'-P-C4' energy: -41.537
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -288.208818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.208818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.208818 (E_RNA)
where:
Base-Base interactions energy: -119.199
where: short stacking energy: -81.128
Base-Backbone interact. energy: -0.405
local terms energy: -168.604998
where:
bonds (distance) C4'-P energy: -37.562
bonds (distance) P-C4' energy: -43.328
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -284.469170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.469170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.469170 (E_RNA)
where:
Base-Base interactions energy: -11.181
where: short stacking energy: -11.181
Base-Backbone interact. energy: -0.000
local terms energy: -273.287907
where:
bonds (distance) C4'-P energy: -66.880
bonds (distance) P-C4' energy: -63.450
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -59.266
tors. eta vs tors. theta energy: -31.327
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -283.787623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.787623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.787623 (E_RNA)
where:
Base-Base interactions energy: -11.318
where: short stacking energy: -11.318
Base-Backbone interact. energy: -0.000
local terms energy: -272.469327
where:
bonds (distance) C4'-P energy: -66.880
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -59.144
tors. eta vs tors. theta energy: -31.152
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -284.695436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.695436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.695436 (E_RNA)
where:
Base-Base interactions energy: -11.733
where: short stacking energy: -11.733
Base-Backbone interact. energy: -0.000
local terms energy: -272.962099
where:
bonds (distance) C4'-P energy: -67.236
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -52.399
flat angles P-C4'-P energy: -59.144
tors. eta vs tors. theta energy: -31.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -284.553550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.553550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.553550 (E_RNA)
where:
Base-Base interactions energy: -11.732
where: short stacking energy: -11.732
Base-Backbone interact. energy: -0.000
local terms energy: -272.821558
where:
bonds (distance) C4'-P energy: -67.236
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -52.399
flat angles P-C4'-P energy: -59.144
tors. eta vs tors. theta energy: -31.114
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -423.947155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.947155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.947155 (E_RNA)
where:
Base-Base interactions energy: -230.019
where: short stacking energy: -173.953
Base-Backbone interact. energy: 0.324
local terms energy: -194.252374
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -38.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -402.635466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.635466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.635466 (E_RNA)
where:
Base-Base interactions energy: -207.587
where: short stacking energy: -148.493
Base-Backbone interact. energy: -1.761
local terms energy: -193.287576
where:
bonds (distance) C4'-P energy: -46.442
bonds (distance) P-C4' energy: -46.221
flat angles C4'-P-C4' energy: -44.034
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -388.324033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.324033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.324033 (E_RNA)
where:
Base-Base interactions energy: -214.047
where: short stacking energy: -130.734
Base-Backbone interact. energy: -1.108
local terms energy: -173.168657
where:
bonds (distance) C4'-P energy: -42.602
bonds (distance) P-C4' energy: -48.410
flat angles C4'-P-C4' energy: -39.582
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -400.639616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.639616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.639616 (E_RNA)
where:
Base-Base interactions energy: -208.836
where: short stacking energy: -123.570
Base-Backbone interact. energy: -1.353
local terms energy: -190.450445
where:
bonds (distance) C4'-P energy: -40.362
bonds (distance) P-C4' energy: -44.145
flat angles C4'-P-C4' energy: -43.736
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -332.981930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.981930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.981930 (E_RNA)
where:
Base-Base interactions energy: -170.891
where: short stacking energy: -110.338
Base-Backbone interact. energy: -0.070
local terms energy: -162.020910
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -42.984
flat angles C4'-P-C4' energy: -37.418
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -313.117697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.117697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.117697 (E_RNA)
where:
Base-Base interactions energy: -159.989
where: short stacking energy: -97.959
Base-Backbone interact. energy: -0.108
local terms energy: -153.021048
where:
bonds (distance) C4'-P energy: -35.576
bonds (distance) P-C4' energy: -49.606
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -287.363150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.363150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.363150 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -94.829
Base-Backbone interact. energy: -1.291
local terms energy: -156.642654
where:
bonds (distance) C4'-P energy: -40.116
bonds (distance) P-C4' energy: -50.649
flat angles C4'-P-C4' energy: -46.080
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -251.697738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.697738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.697738 (E_RNA)
where:
Base-Base interactions energy: -107.460
where: short stacking energy: -86.686
Base-Backbone interact. energy: -0.819
local terms energy: -143.418673
where:
bonds (distance) C4'-P energy: -34.414
bonds (distance) P-C4' energy: -42.591
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -21.442
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -216.304677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.304677 (E_RNA)
where:
Base-Base interactions energy: -93.722
where: short stacking energy: -74.664
Base-Backbone interact. energy: 0.685
local terms energy: -123.267692
where:
bonds (distance) C4'-P energy: -37.382
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -233.925651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.925651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.925651 (E_RNA)
where:
Base-Base interactions energy: -119.149
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.915
local terms energy: -113.861537
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -38.976
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: 15.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -473.783183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.783183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.783183 (E_RNA)
where:
Base-Base interactions energy: -284.590
where: short stacking energy: -151.092
Base-Backbone interact. energy: -1.256
local terms energy: -187.937312
where:
bonds (distance) C4'-P energy: -44.572
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -24.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -452.586108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.586108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.586108 (E_RNA)
where:
Base-Base interactions energy: -259.244
where: short stacking energy: -150.255
Base-Backbone interact. energy: -1.099
local terms energy: -192.242746
where:
bonds (distance) C4'-P energy: -36.007
bonds (distance) P-C4' energy: -46.496
flat angles C4'-P-C4' energy: -50.598
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -462.733736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.733736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.733736 (E_RNA)
where:
Base-Base interactions energy: -260.081
where: short stacking energy: -152.297
Base-Backbone interact. energy: -0.925
local terms energy: -201.727458
where:
bonds (distance) C4'-P energy: -47.377
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -45.952
flat angles P-C4'-P energy: -32.295
tors. eta vs tors. theta energy: -37.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -389.431154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.431154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.431154 (E_RNA)
where:
Base-Base interactions energy: -210.131
where: short stacking energy: -128.008
Base-Backbone interact. energy: -1.871
local terms energy: -177.429532
where:
bonds (distance) C4'-P energy: -42.303
bonds (distance) P-C4' energy: -44.627
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -347.535273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.535273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.535273 (E_RNA)
where:
Base-Base interactions energy: -170.869
where: short stacking energy: -105.420
Base-Backbone interact. energy: 1.673
local terms energy: -178.339332
where:
bonds (distance) C4'-P energy: -40.638
bonds (distance) P-C4' energy: -50.615
flat angles C4'-P-C4' energy: -39.283
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -20.063
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: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -371.732296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.732296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.732296 (E_RNA)
where:
Base-Base interactions energy: -199.695
where: short stacking energy: -110.966
Base-Backbone interact. energy: -0.752
local terms energy: -171.285355
where:
bonds (distance) C4'-P energy: -42.699
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -45.063
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -306.055670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.055670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.055670 (E_RNA)
where:
Base-Base interactions energy: -153.971
where: short stacking energy: -94.839
Base-Backbone interact. energy: 0.099
local terms energy: -152.183324
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -47.579
flat angles C4'-P-C4' energy: -30.221
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -249.927571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.927571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.927571 (E_RNA)
where:
Base-Base interactions energy: -97.065
where: short stacking energy: -79.910
Base-Backbone interact. energy: 0.114
local terms energy: -152.976400
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -44.502
flat angles C4'-P-C4' energy: -39.711
flat angles P-C4'-P energy: -17.900
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -276.172394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.172394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.172394 (E_RNA)
where:
Base-Base interactions energy: -123.812
where: short stacking energy: -101.309
Base-Backbone interact. energy: -0.676
local terms energy: -151.684427
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -39.833
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -215.134024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134024 (E_RNA)
where:
Base-Base interactions energy: -75.611
where: short stacking energy: -65.430
Base-Backbone interact. energy: 0.840
local terms energy: -140.363348
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -41.544
flat angles C4'-P-C4' energy: -38.222
flat angles P-C4'-P energy: -26.777
tors. eta vs tors. theta energy: 1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -507.138430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.138430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.138430 (E_RNA)
where:
Base-Base interactions energy: -318.996
where: short stacking energy: -162.451
Base-Backbone interact. energy: -1.833
local terms energy: -186.310009
where:
bonds (distance) C4'-P energy: -43.669
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -47.315
flat angles P-C4'-P energy: -29.043
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -509.626343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.626343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.626343 (E_RNA)
where:
Base-Base interactions energy: -291.221
where: short stacking energy: -165.308
Base-Backbone interact. energy: 2.605
local terms energy: -221.010756
where:
bonds (distance) C4'-P energy: -46.320
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -44.012
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -45.198
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: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -467.865424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.865424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.865424 (E_RNA)
where:
Base-Base interactions energy: -285.503
where: short stacking energy: -173.791
Base-Backbone interact. energy: -0.827
local terms energy: -181.534908
where:
bonds (distance) C4'-P energy: -39.781
bonds (distance) P-C4' energy: -44.743
flat angles C4'-P-C4' energy: -37.244
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -33.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -459.728753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.728753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.728753 (E_RNA)
where:
Base-Base interactions energy: -260.933
where: short stacking energy: -148.198
Base-Backbone interact. energy: 0.055
local terms energy: -198.851364
where:
bonds (distance) C4'-P energy: -46.903
bonds (distance) P-C4' energy: -36.042
flat angles C4'-P-C4' energy: -42.663
flat angles P-C4'-P energy: -34.400
tors. eta vs tors. theta energy: -38.843
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -322.422130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.422130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.422130 (E_RNA)
where:
Base-Base interactions energy: -181.781
where: short stacking energy: -116.173
Base-Backbone interact. energy: -2.539
local terms energy: -138.101920
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -11.734
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: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -332.983849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.983849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.983849 (E_RNA)
where:
Base-Base interactions energy: -176.476
where: short stacking energy: -116.043
Base-Backbone interact. energy: -1.284
local terms energy: -155.224550
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -36.340
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -360.092715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.092715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.092715 (E_RNA)
where:
Base-Base interactions energy: -197.093
where: short stacking energy: -102.791
Base-Backbone interact. energy: -1.672
local terms energy: -161.327974
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -38.579
flat angles C4'-P-C4' energy: -39.000
flat angles P-C4'-P energy: -29.444
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -262.347155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.347155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.347155 (E_RNA)
where:
Base-Base interactions energy: -122.183
where: short stacking energy: -80.496
Base-Backbone interact. energy: -1.175
local terms energy: -138.988826
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -39.598
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -230.019340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.019340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.019340 (E_RNA)
where:
Base-Base interactions energy: -95.340
where: short stacking energy: -65.619
Base-Backbone interact. energy: 0.187
local terms energy: -134.866279
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -49.305
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -187.871122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.871122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.871122 (E_RNA)
where:
Base-Base interactions energy: -58.452
where: short stacking energy: -56.971
Base-Backbone interact. energy: 1.725
local terms energy: -131.144006
where:
bonds (distance) C4'-P energy: -42.165
bonds (distance) P-C4' energy: -33.565
flat angles C4'-P-C4' energy: -41.256
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: 10.415
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: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -531.734325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.734325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.734325 (E_RNA)
where:
Base-Base interactions energy: -311.436
where: short stacking energy: -165.297
Base-Backbone interact. energy: -0.024
local terms energy: -220.274547
where:
bonds (distance) C4'-P energy: -44.729
bonds (distance) P-C4' energy: -51.273
flat angles C4'-P-C4' energy: -48.405
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -39.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -471.500442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.500442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.500442 (E_RNA)
where:
Base-Base interactions energy: -275.362
where: short stacking energy: -165.996
Base-Backbone interact. energy: -0.960
local terms energy: -195.178671
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -43.638
flat angles C4'-P-C4' energy: -49.401
flat angles P-C4'-P energy: -28.430
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: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -485.552898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.552898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.552898 (E_RNA)
where:
Base-Base interactions energy: -280.055
where: short stacking energy: -173.576
Base-Backbone interact. energy: 2.317
local terms energy: -207.814974
where:
bonds (distance) C4'-P energy: -44.682
bonds (distance) P-C4' energy: -51.959
flat angles C4'-P-C4' energy: -43.649
flat angles P-C4'-P energy: -25.603
tors. eta vs tors. theta energy: -41.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -437.631617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.631617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.631617 (E_RNA)
where:
Base-Base interactions energy: -250.501
where: short stacking energy: -125.519
Base-Backbone interact. energy: -1.586
local terms energy: -185.544841
where:
bonds (distance) C4'-P energy: -45.291
bonds (distance) P-C4' energy: -42.558
flat angles C4'-P-C4' energy: -34.609
flat angles P-C4'-P energy: -38.728
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: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -354.799462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.799462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.799462 (E_RNA)
where:
Base-Base interactions energy: -176.910
where: short stacking energy: -121.519
Base-Backbone interact. energy: 1.229
local terms energy: -179.118982
where:
bonds (distance) C4'-P energy: -38.280
bonds (distance) P-C4' energy: -40.303
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -27.193
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: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -369.937473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.937473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.937473 (E_RNA)
where:
Base-Base interactions energy: -205.562
where: short stacking energy: -113.489
Base-Backbone interact. energy: -1.311
local terms energy: -163.065135
where:
bonds (distance) C4'-P energy: -43.353
bonds (distance) P-C4' energy: -39.770
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -23.809
tors. eta vs tors. theta energy: -22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -302.935151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.935151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.935151 (E_RNA)
where:
Base-Base interactions energy: -149.682
where: short stacking energy: -95.873
Base-Backbone interact. energy: -0.130
local terms energy: -153.123478
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -42.543
flat angles C4'-P-C4' energy: -44.894
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -312.228376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.228376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.228376 (E_RNA)
where:
Base-Base interactions energy: -177.570
where: short stacking energy: -117.551
Base-Backbone interact. energy: 0.855
local terms energy: -135.513350
where:
bonds (distance) C4'-P energy: -34.831
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -38.236
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -199.737392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.737392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.737392 (E_RNA)
where:
Base-Base interactions energy: -83.333
where: short stacking energy: -67.334
Base-Backbone interact. energy: 0.209
local terms energy: -116.613473
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -45.541
flat angles C4'-P-C4' energy: -27.024
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: 10.672
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: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -225.820043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.820043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.820043 (E_RNA)
where:
Base-Base interactions energy: -83.436
where: short stacking energy: -70.873
Base-Backbone interact. energy: -0.184
local terms energy: -142.200167
where:
bonds (distance) C4'-P energy: -42.230
bonds (distance) P-C4' energy: -38.232
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -551.435011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.435011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.435011 (E_RNA)
where:
Base-Base interactions energy: -348.055
where: short stacking energy: -173.739
Base-Backbone interact. energy: -1.102
local terms energy: -202.277449
where:
bonds (distance) C4'-P energy: -38.984
bonds (distance) P-C4' energy: -48.102
flat angles C4'-P-C4' energy: -46.904
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -37.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -532.826449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.826449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.826449 (E_RNA)
where:
Base-Base interactions energy: -320.205
where: short stacking energy: -184.297
Base-Backbone interact. energy: -1.389
local terms energy: -211.232431
where:
bonds (distance) C4'-P energy: -41.064
bonds (distance) P-C4' energy: -56.260
flat angles C4'-P-C4' energy: -46.966
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: -41.671
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: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -470.580686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.580686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.580686 (E_RNA)
where:
Base-Base interactions energy: -296.583
where: short stacking energy: -126.777
Base-Backbone interact. energy: -1.489
local terms energy: -172.508594
where:
bonds (distance) C4'-P energy: -45.074
bonds (distance) P-C4' energy: -45.797
flat angles C4'-P-C4' energy: -44.812
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -444.080743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.080743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.080743 (E_RNA)
where:
Base-Base interactions energy: -266.290
where: short stacking energy: -123.951
Base-Backbone interact. energy: -1.916
local terms energy: -175.874776
where:
bonds (distance) C4'-P energy: -38.694
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -38.412
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -22.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -398.929848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.929848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.929848 (E_RNA)
where:
Base-Base interactions energy: -204.220
where: short stacking energy: -146.966
Base-Backbone interact. energy: -1.666
local terms energy: -193.044028
where:
bonds (distance) C4'-P energy: -42.978
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -48.704
flat angles P-C4'-P energy: -26.423
tors. eta vs tors. theta energy: -31.493
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: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -378.414011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.414011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.414011 (E_RNA)
where:
Base-Base interactions energy: -216.178
where: short stacking energy: -128.355
Base-Backbone interact. energy: 1.915
local terms energy: -164.150610
where:
bonds (distance) C4'-P energy: -40.911
bonds (distance) P-C4' energy: -47.743
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -15.488
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: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -335.992169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.992169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.992169 (E_RNA)
where:
Base-Base interactions energy: -180.265
where: short stacking energy: -90.796
Base-Backbone interact. energy: -1.255
local terms energy: -154.471915
where:
bonds (distance) C4'-P energy: -38.156
bonds (distance) P-C4' energy: -40.772
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -302.797344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.797344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.797344 (E_RNA)
where:
Base-Base interactions energy: -162.916
where: short stacking energy: -101.614
Base-Backbone interact. energy: -0.539
local terms energy: -139.341997
where:
bonds (distance) C4'-P energy: -47.975
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -34.269
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -7.013
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -246.375948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.375948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.375948 (E_RNA)
where:
Base-Base interactions energy: -129.370
where: short stacking energy: -69.560
Base-Backbone interact. energy: 3.330
local terms energy: -120.335641
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -31.494
flat angles C4'-P-C4' energy: -37.502
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: 6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -188.812323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.812323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.812323 (E_RNA)
where:
Base-Base interactions energy: -60.738
where: short stacking energy: -63.331
Base-Backbone interact. energy: 0.484
local terms energy: -128.558592
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: 0.170
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: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -572.291450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.291450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.291450 (E_RNA)
where:
Base-Base interactions energy: -356.901
where: short stacking energy: -198.132
Base-Backbone interact. energy: -0.246
local terms energy: -215.144597
where:
bonds (distance) C4'-P energy: -45.047
bonds (distance) P-C4' energy: -45.134
flat angles C4'-P-C4' energy: -46.402
flat angles P-C4'-P energy: -32.270
tors. eta vs tors. theta energy: -46.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -551.582102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.582102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.582102 (E_RNA)
where:
Base-Base interactions energy: -351.036
where: short stacking energy: -167.171
Base-Backbone interact. energy: -0.342
local terms energy: -200.204106
where:
bonds (distance) C4'-P energy: -37.257
bonds (distance) P-C4' energy: -45.872
flat angles C4'-P-C4' energy: -51.711
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: -34.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -455.484354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.484354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.484354 (E_RNA)
where:
Base-Base interactions energy: -277.286
where: short stacking energy: -138.040
Base-Backbone interact. energy: -0.941
local terms energy: -177.257560
where:
bonds (distance) C4'-P energy: -43.906
bonds (distance) P-C4' energy: -51.491
flat angles C4'-P-C4' energy: -45.498
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -15.586
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -426.426053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.426053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.426053 (E_RNA)
where:
Base-Base interactions energy: -259.089
where: short stacking energy: -148.307
Base-Backbone interact. energy: 2.279
local terms energy: -169.616107
where:
bonds (distance) C4'-P energy: -44.701
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -41.910
flat angles P-C4'-P energy: -21.560
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -376.322386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.322386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.322386 (E_RNA)
where:
Base-Base interactions energy: -209.392
where: short stacking energy: -105.928
Base-Backbone interact. energy: -0.812
local terms energy: -166.118816
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -34.373
flat angles P-C4'-P energy: -28.222
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -392.284321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.284321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.284321 (E_RNA)
where:
Base-Base interactions energy: -235.131
where: short stacking energy: -135.503
Base-Backbone interact. energy: 2.568
local terms energy: -159.720919
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -36.427
flat angles C4'-P-C4' energy: -35.602
flat angles P-C4'-P energy: -23.110
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: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -379.622994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.622994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.622994 (E_RNA)
where:
Base-Base interactions energy: -207.673
where: short stacking energy: -128.659
Base-Backbone interact. energy: -0.822
local terms energy: -171.128635
where:
bonds (distance) C4'-P energy: -40.454
bonds (distance) P-C4' energy: -46.635
flat angles C4'-P-C4' energy: -41.885
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -302.356388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.356388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.356388 (E_RNA)
where:
Base-Base interactions energy: -149.064
where: short stacking energy: -82.801
Base-Backbone interact. energy: 1.022
local terms energy: -154.314579
where:
bonds (distance) C4'-P energy: -32.957
bonds (distance) P-C4' energy: -42.626
flat angles C4'-P-C4' energy: -38.483
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -279.491069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.491069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.491069 (E_RNA)
where:
Base-Base interactions energy: -146.026
where: short stacking energy: -87.604
Base-Backbone interact. energy: -2.267
local terms energy: -131.198859
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -42.760
flat angles C4'-P-C4' energy: -38.923
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -208.947749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.947749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.947749 (E_RNA)
where:
Base-Base interactions energy: -96.688
where: short stacking energy: -64.424
Base-Backbone interact. energy: 1.413
local terms energy: -113.672820
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -36.889
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: 4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -600.686998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.686998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.686998 (E_RNA)
where:
Base-Base interactions energy: -372.965
where: short stacking energy: -206.560
Base-Backbone interact. energy: 0.759
local terms energy: -228.481074
where:
bonds (distance) C4'-P energy: -40.514
bonds (distance) P-C4' energy: -54.544
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -28.979
tors. eta vs tors. theta energy: -55.543
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: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -530.406639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.406639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.406639 (E_RNA)
where:
Base-Base interactions energy: -334.913
where: short stacking energy: -184.450
Base-Backbone interact. energy: -0.986
local terms energy: -194.508288
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -51.625
flat angles P-C4'-P energy: -28.056
tors. eta vs tors. theta energy: -32.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -473.386599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.386599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.386599 (E_RNA)
where:
Base-Base interactions energy: -275.492
where: short stacking energy: -138.513
Base-Backbone interact. energy: 2.261
local terms energy: -200.156061
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -49.583
flat angles C4'-P-C4' energy: -45.452
flat angles P-C4'-P energy: -29.678
tors. eta vs tors. theta energy: -26.476
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: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -441.298598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.298598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.298598 (E_RNA)
where:
Base-Base interactions energy: -267.221
where: short stacking energy: -124.227
Base-Backbone interact. energy: -0.444
local terms energy: -173.633872
where:
bonds (distance) C4'-P energy: -43.877
bonds (distance) P-C4' energy: -47.029
flat angles C4'-P-C4' energy: -43.702
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -402.729630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.729630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.729630 (E_RNA)
where:
Base-Base interactions energy: -237.243
where: short stacking energy: -130.458
Base-Backbone interact. energy: -0.200
local terms energy: -165.286995
where:
bonds (distance) C4'-P energy: -35.207
bonds (distance) P-C4' energy: -47.456
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -30.804
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -440.607872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.607872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.607872 (E_RNA)
where:
Base-Base interactions energy: -261.644
where: short stacking energy: -134.280
Base-Backbone interact. energy: 0.212
local terms energy: -179.175506
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -45.283
flat angles P-C4'-P energy: -29.996
tors. eta vs tors. theta energy: -26.974
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: 9
Temperature: 1.200000
Total energy: -316.058428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.058428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.058428 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -100.089
Base-Backbone interact. energy: 0.867
local terms energy: -172.264873
where:
bonds (distance) C4'-P energy: -42.395
bonds (distance) P-C4' energy: -47.014
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -12.835
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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -290.299604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.299604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.299604 (E_RNA)
where:
Base-Base interactions energy: -155.840
where: short stacking energy: -76.091
Base-Backbone interact. energy: 1.705
local terms energy: -136.163669
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -44.929
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -272.097195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.097195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.097195 (E_RNA)
where:
Base-Base interactions energy: -111.507
where: short stacking energy: -68.493
Base-Backbone interact. energy: -0.275
local terms energy: -160.314879
where:
bonds (distance) C4'-P energy: -41.246
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -42.549
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -199.255290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.255290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.255290 (E_RNA)
where:
Base-Base interactions energy: -71.571
where: short stacking energy: -53.842
Base-Backbone interact. energy: 0.383
local terms energy: -128.067330
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -44.899
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: 9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -613.396733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.396733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.396733 (E_RNA)
where:
Base-Base interactions energy: -399.535
where: short stacking energy: -203.425
Base-Backbone interact. energy: -1.350
local terms energy: -212.511502
where:
bonds (distance) C4'-P energy: -41.794
bonds (distance) P-C4' energy: -44.853
flat angles C4'-P-C4' energy: -44.087
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -51.328
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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -530.229463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.229463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.229463 (E_RNA)
where:
Base-Base interactions energy: -333.864
where: short stacking energy: -183.783
Base-Backbone interact. energy: -0.011
local terms energy: -196.354268
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -48.497
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -33.757
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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -476.484866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.484866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.484866 (E_RNA)
where:
Base-Base interactions energy: -294.007
where: short stacking energy: -128.568
Base-Backbone interact. energy: -0.336
local terms energy: -182.142152
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -46.656
flat angles C4'-P-C4' energy: -47.753
flat angles P-C4'-P energy: -26.896
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -466.002668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.002668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.002668 (E_RNA)
where:
Base-Base interactions energy: -287.175
where: short stacking energy: -109.517
Base-Backbone interact. energy: -1.493
local terms energy: -177.335342
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -49.011
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -21.577
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -446.598576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.598576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.598576 (E_RNA)
where:
Base-Base interactions energy: -256.329
where: short stacking energy: -136.463
Base-Backbone interact. energy: -0.396
local terms energy: -189.873833
where:
bonds (distance) C4'-P energy: -49.455
bonds (distance) P-C4' energy: -35.216
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -30.784
tors. eta vs tors. theta energy: -32.936
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: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -390.096441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.096441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.096441 (E_RNA)
where:
Base-Base interactions energy: -231.221
where: short stacking energy: -114.415
Base-Backbone interact. energy: -0.240
local terms energy: -158.636187
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -37.339
flat angles C4'-P-C4' energy: -43.198
flat angles P-C4'-P energy: -19.179
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: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -319.107033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.107033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.107033 (E_RNA)
where:
Base-Base interactions energy: -177.992
where: short stacking energy: -104.987
Base-Backbone interact. energy: -0.088
local terms energy: -141.026403
where:
bonds (distance) C4'-P energy: -29.254
bonds (distance) P-C4' energy: -39.298
flat angles C4'-P-C4' energy: -36.087
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -311.597784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.597784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.597784 (E_RNA)
where:
Base-Base interactions energy: -159.978
where: short stacking energy: -98.906
Base-Backbone interact. energy: -0.513
local terms energy: -151.107054
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -41.200
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -17.358
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: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -284.878416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.878416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.878416 (E_RNA)
where:
Base-Base interactions energy: -143.887
where: short stacking energy: -85.899
Base-Backbone interact. energy: 0.826
local terms energy: -141.817310
where:
bonds (distance) C4'-P energy: -36.681
bonds (distance) P-C4' energy: -41.812
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -203.201537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.201537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.201537 (E_RNA)
where:
Base-Base interactions energy: -72.287
where: short stacking energy: -71.866
Base-Backbone interact. energy: -0.789
local terms energy: -130.124950
where:
bonds (distance) C4'-P energy: -40.647
bonds (distance) P-C4' energy: -27.013
flat angles C4'-P-C4' energy: -43.480
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: 7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -631.307912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.307912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.307912 (E_RNA)
where:
Base-Base interactions energy: -395.945
where: short stacking energy: -207.826
Base-Backbone interact. energy: -0.292
local terms energy: -235.070745
where:
bonds (distance) C4'-P energy: -48.782
bonds (distance) P-C4' energy: -51.706
flat angles C4'-P-C4' energy: -45.070
flat angles P-C4'-P energy: -36.611
tors. eta vs tors. theta energy: -52.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -567.399424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.399424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.399424 (E_RNA)
where:
Base-Base interactions energy: -350.790
where: short stacking energy: -190.627
Base-Backbone interact. energy: -1.409
local terms energy: -215.200427
where:
bonds (distance) C4'-P energy: -40.249
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -35.323
tors. eta vs tors. theta energy: -41.599
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: 11
Temperature: 1.000000
Total energy: -548.572221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.572221 (E_RNA)
where:
Base-Base interactions energy: -351.972
where: short stacking energy: -156.183
Base-Backbone interact. energy: -0.524
local terms energy: -196.076183
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -47.267
flat angles C4'-P-C4' energy: -45.760
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -34.517
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: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -510.515278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.515278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.515278 (E_RNA)
where:
Base-Base interactions energy: -351.799
where: short stacking energy: -146.785
Base-Backbone interact. energy: -0.531
local terms energy: -158.185268
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -37.073
flat angles C4'-P-C4' energy: -37.155
flat angles P-C4'-P energy: -30.145
tors. eta vs tors. theta energy: -21.441
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: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -450.384963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.384963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.384963 (E_RNA)
where:
Base-Base interactions energy: -275.709
where: short stacking energy: -155.364
Base-Backbone interact. energy: -0.449
local terms energy: -174.227509
where:
bonds (distance) C4'-P energy: -45.156
bonds (distance) P-C4' energy: -31.944
flat angles C4'-P-C4' energy: -43.214
flat angles P-C4'-P energy: -26.768
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: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -437.963587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.963587 (E_RNA)
where:
Base-Base interactions energy: -246.623
where: short stacking energy: -124.228
Base-Backbone interact. energy: -0.055
local terms energy: -191.285071
where:
bonds (distance) C4'-P energy: -39.740
bonds (distance) P-C4' energy: -51.473
flat angles C4'-P-C4' energy: -38.349
flat angles P-C4'-P energy: -27.597
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: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -327.565600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.565600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.565600 (E_RNA)
where:
Base-Base interactions energy: -180.929
where: short stacking energy: -96.015
Base-Backbone interact. energy: 0.069
local terms energy: -146.705993
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -37.435
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -311.917393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.917393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.917393 (E_RNA)
where:
Base-Base interactions energy: -149.731
where: short stacking energy: -81.177
Base-Backbone interact. energy: 0.936
local terms energy: -163.121919
where:
bonds (distance) C4'-P energy: -44.192
bonds (distance) P-C4' energy: -45.810
flat angles C4'-P-C4' energy: -38.680
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -281.286046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.286046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.286046 (E_RNA)
where:
Base-Base interactions energy: -135.420
where: short stacking energy: -82.835
Base-Backbone interact. energy: 1.923
local terms energy: -147.789205
where:
bonds (distance) C4'-P energy: -39.709
bonds (distance) P-C4' energy: -40.107
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -7.010
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: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -187.453020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.453020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.453020 (E_RNA)
where:
Base-Base interactions energy: -46.186
where: short stacking energy: -35.899
Base-Backbone interact. energy: 2.588
local terms energy: -143.854311
where:
bonds (distance) C4'-P energy: -40.614
bonds (distance) P-C4' energy: -47.839
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -641.048209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.048209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.048209 (E_RNA)
where:
Base-Base interactions energy: -407.227
where: short stacking energy: -201.708
Base-Backbone interact. energy: -1.346
local terms energy: -232.475440
where:
bonds (distance) C4'-P energy: -49.749
bonds (distance) P-C4' energy: -51.311
flat angles C4'-P-C4' energy: -44.034
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -55.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -527.063289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.063289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.063289 (E_RNA)
where:
Base-Base interactions energy: -323.261
where: short stacking energy: -157.039
Base-Backbone interact. energy: 1.515
local terms energy: -205.317038
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -47.721
flat angles C4'-P-C4' energy: -50.181
flat angles P-C4'-P energy: -35.167
tors. eta vs tors. theta energy: -31.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -538.303278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.303278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.303278 (E_RNA)
where:
Base-Base interactions energy: -341.349
where: short stacking energy: -160.087
Base-Backbone interact. energy: -2.673
local terms energy: -194.281328
where:
bonds (distance) C4'-P energy: -39.154
bonds (distance) P-C4' energy: -46.220
flat angles C4'-P-C4' energy: -50.577
flat angles P-C4'-P energy: -22.446
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: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -505.871086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.871086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.871086 (E_RNA)
where:
Base-Base interactions energy: -334.273
where: short stacking energy: -131.110
Base-Backbone interact. energy: 0.466
local terms energy: -172.064269
where:
bonds (distance) C4'-P energy: -42.557
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -44.581
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -19.134
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: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -453.809895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.809895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.809895 (E_RNA)
where:
Base-Base interactions energy: -275.425
where: short stacking energy: -145.363
Base-Backbone interact. energy: -0.585
local terms energy: -177.800376
where:
bonds (distance) C4'-P energy: -40.142
bonds (distance) P-C4' energy: -41.126
flat angles C4'-P-C4' energy: -39.238
flat angles P-C4'-P energy: -20.961
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: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -449.430033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.430033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.430033 (E_RNA)
where:
Base-Base interactions energy: -261.799
where: short stacking energy: -129.263
Base-Backbone interact. energy: -1.095
local terms energy: -186.536524
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -45.662
flat angles C4'-P-C4' energy: -46.400
flat angles P-C4'-P energy: -24.670
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: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -382.195889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.195889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.195889 (E_RNA)
where:
Base-Base interactions energy: -202.305
where: short stacking energy: -111.916
Base-Backbone interact. energy: 0.103
local terms energy: -179.993108
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -50.805
flat angles C4'-P-C4' energy: -39.298
flat angles P-C4'-P energy: -26.002
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -309.136096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.136096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.136096 (E_RNA)
where:
Base-Base interactions energy: -157.177
where: short stacking energy: -95.703
Base-Backbone interact. energy: 5.076
local terms energy: -157.034553
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -42.200
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -256.067715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.067715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.067715 (E_RNA)
where:
Base-Base interactions energy: -107.052
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.654
local terms energy: -148.361331
where:
bonds (distance) C4'-P energy: -43.178
bonds (distance) P-C4' energy: -50.921
flat angles C4'-P-C4' energy: -27.883
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -205.258182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.258182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.258182 (E_RNA)
where:
Base-Base interactions energy: -75.311
where: short stacking energy: -66.914
Base-Backbone interact. energy: 2.200
local terms energy: -132.147737
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -20.020
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: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -639.902335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.902335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.902335 (E_RNA)
where:
Base-Base interactions energy: -408.919
where: short stacking energy: -202.520
Base-Backbone interact. energy: -0.193
local terms energy: -230.790226
where:
bonds (distance) C4'-P energy: -39.737
bonds (distance) P-C4' energy: -45.844
flat angles C4'-P-C4' energy: -55.449
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -53.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -557.012483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.012483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.012483 (E_RNA)
where:
Base-Base interactions energy: -359.010
where: short stacking energy: -177.998
Base-Backbone interact. energy: 0.348
local terms energy: -198.351198
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -45.804
flat angles C4'-P-C4' energy: -43.344
flat angles P-C4'-P energy: -32.341
tors. eta vs tors. theta energy: -34.431
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: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -518.374551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.374551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.374551 (E_RNA)
where:
Base-Base interactions energy: -323.505
where: short stacking energy: -156.929
Base-Backbone interact. energy: -0.396
local terms energy: -194.474472
where:
bonds (distance) C4'-P energy: -40.088
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -45.346
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -36.686
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: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -485.455494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.455494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.455494 (E_RNA)
where:
Base-Base interactions energy: -320.834
where: short stacking energy: -135.914
Base-Backbone interact. energy: 4.187
local terms energy: -168.808826
where:
bonds (distance) C4'-P energy: -36.016
bonds (distance) P-C4' energy: -39.021
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: -23.330
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: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -444.965368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.965368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.965368 (E_RNA)
where:
Base-Base interactions energy: -258.413
where: short stacking energy: -127.077
Base-Backbone interact. energy: -0.978
local terms energy: -185.574444
where:
bonds (distance) C4'-P energy: -47.103
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -39.753
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -30.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -440.243621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.243621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.243621 (E_RNA)
where:
Base-Base interactions energy: -264.097
where: short stacking energy: -131.470
Base-Backbone interact. energy: -0.718
local terms energy: -175.428168
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -28.024
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: 13
Temperature: 1.200000
Total energy: -392.009091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.009091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.009091 (E_RNA)
where:
Base-Base interactions energy: -236.434
where: short stacking energy: -119.893
Base-Backbone interact. energy: -1.122
local terms energy: -154.452879
where:
bonds (distance) C4'-P energy: -35.954
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -10.523
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: 13
Temperature: 1.250000
Total energy: -292.989320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.989320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.989320 (E_RNA)
where:
Base-Base interactions energy: -164.144
where: short stacking energy: -94.038
Base-Backbone interact. energy: -1.712
local terms energy: -127.133999
where:
bonds (distance) C4'-P energy: -40.755
bonds (distance) P-C4' energy: -34.007
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: 1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -259.141549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.141549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.141549 (E_RNA)
where:
Base-Base interactions energy: -131.346
where: short stacking energy: -85.274
Base-Backbone interact. energy: 0.004
local terms energy: -127.799470
where:
bonds (distance) C4'-P energy: -45.473
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -30.732
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -212.519801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519801 (E_RNA)
where:
Base-Base interactions energy: -89.459
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.242
local terms energy: -122.818655
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -46.752
flat angles C4'-P-C4' energy: -34.800
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -671.022355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.022355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.022355 (E_RNA)
where:
Base-Base interactions energy: -422.951
where: short stacking energy: -214.389
Base-Backbone interact. energy: -3.506
local terms energy: -244.565312
where:
bonds (distance) C4'-P energy: -49.981
bonds (distance) P-C4' energy: -44.654
flat angles C4'-P-C4' energy: -51.541
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -62.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -597.830144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.830144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.830144 (E_RNA)
where:
Base-Base interactions energy: -380.304
where: short stacking energy: -172.285
Base-Backbone interact. energy: -2.181
local terms energy: -215.345621
where:
bonds (distance) C4'-P energy: -41.309
bonds (distance) P-C4' energy: -45.887
flat angles C4'-P-C4' energy: -50.391
flat angles P-C4'-P energy: -37.535
tors. eta vs tors. theta energy: -40.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -503.287417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.287417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.287417 (E_RNA)
where:
Base-Base interactions energy: -310.920
where: short stacking energy: -164.343
Base-Backbone interact. energy: -0.090
local terms energy: -192.278130
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -40.403
flat angles C4'-P-C4' energy: -50.426
flat angles P-C4'-P energy: -28.210
tors. eta vs tors. theta energy: -36.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -490.412859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.412859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.412859 (E_RNA)
where:
Base-Base interactions energy: -314.340
where: short stacking energy: -132.514
Base-Backbone interact. energy: -1.085
local terms energy: -174.987216
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -40.724
flat angles C4'-P-C4' energy: -38.666
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -18.398
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: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -473.315011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.315011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.315011 (E_RNA)
where:
Base-Base interactions energy: -279.507
where: short stacking energy: -160.676
Base-Backbone interact. energy: -1.259
local terms energy: -192.549353
where:
bonds (distance) C4'-P energy: -36.953
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -40.866
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -41.112
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: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -464.293069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.293069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.293069 (E_RNA)
where:
Base-Base interactions energy: -279.004
where: short stacking energy: -120.901
Base-Backbone interact. energy: -2.834
local terms energy: -182.455331
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -40.368
flat angles P-C4'-P energy: -31.142
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -387.353684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.353684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.353684 (E_RNA)
where:
Base-Base interactions energy: -221.235
where: short stacking energy: -114.238
Base-Backbone interact. energy: -0.935
local terms energy: -165.183796
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -37.883
flat angles C4'-P-C4' energy: -43.779
flat angles P-C4'-P energy: -28.900
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: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -392.763197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.763197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.763197 (E_RNA)
where:
Base-Base interactions energy: -226.824
where: short stacking energy: -104.965
Base-Backbone interact. energy: 1.445
local terms energy: -167.383566
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -12.019
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: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -245.728068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.728068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.728068 (E_RNA)
where:
Base-Base interactions energy: -114.246
where: short stacking energy: -83.482
Base-Backbone interact. energy: -0.136
local terms energy: -131.346311
where:
bonds (distance) C4'-P energy: -36.874
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -27.436
flat angles P-C4'-P energy: -21.987
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -208.322413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.322413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.322413 (E_RNA)
where:
Base-Base interactions energy: -80.817
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.350
local terms energy: -127.155176
where:
bonds (distance) C4'-P energy: -38.467
bonds (distance) P-C4' energy: -36.755
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -673.819124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.819124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.819124 (E_RNA)
where:
Base-Base interactions energy: -427.423
where: short stacking energy: -200.531
Base-Backbone interact. energy: -0.610
local terms energy: -245.785730
where:
bonds (distance) C4'-P energy: -39.101
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -53.823
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -61.611
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: 15
Temperature: 0.950000
Total energy: -623.744590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.744590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.744590 (E_RNA)
where:
Base-Base interactions energy: -424.314
where: short stacking energy: -170.014
Base-Backbone interact. energy: 0.240
local terms energy: -199.670941
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -35.158
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -526.585743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.585743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.585743 (E_RNA)
where:
Base-Base interactions energy: -339.150
where: short stacking energy: -162.585
Base-Backbone interact. energy: 1.099
local terms energy: -188.534390
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -45.412
flat angles C4'-P-C4' energy: -45.766
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -30.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -553.906339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.906339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.906339 (E_RNA)
where:
Base-Base interactions energy: -363.703
where: short stacking energy: -152.777
Base-Backbone interact. energy: -1.895
local terms energy: -188.308623
where:
bonds (distance) C4'-P energy: -41.946
bonds (distance) P-C4' energy: -42.526
flat angles C4'-P-C4' energy: -44.858
flat angles P-C4'-P energy: -26.370
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: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -499.718543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.718543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.718543 (E_RNA)
where:
Base-Base interactions energy: -308.606
where: short stacking energy: -128.652
Base-Backbone interact. energy: -0.913
local terms energy: -190.199915
where:
bonds (distance) C4'-P energy: -46.631
bonds (distance) P-C4' energy: -39.420
flat angles C4'-P-C4' energy: -40.766
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -410.590850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.590850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.590850 (E_RNA)
where:
Base-Base interactions energy: -237.479
where: short stacking energy: -134.394
Base-Backbone interact. energy: -1.351
local terms energy: -171.761465
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -45.645
flat angles C4'-P-C4' energy: -49.040
flat angles P-C4'-P energy: -30.500
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: 15
Temperature: 1.200000
Total energy: -457.613036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.613036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.613036 (E_RNA)
where:
Base-Base interactions energy: -271.721
where: short stacking energy: -131.426
Base-Backbone interact. energy: -1.668
local terms energy: -184.224073
where:
bonds (distance) C4'-P energy: -41.046
bonds (distance) P-C4' energy: -42.594
flat angles C4'-P-C4' energy: -46.131
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -30.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -375.899829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.899829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.899829 (E_RNA)
where:
Base-Base interactions energy: -215.962
where: short stacking energy: -115.155
Base-Backbone interact. energy: 0.117
local terms energy: -160.055164
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -45.944
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -22.790
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -240.594244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.594244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.594244 (E_RNA)
where:
Base-Base interactions energy: -109.960
where: short stacking energy: -66.598
Base-Backbone interact. energy: 1.495
local terms energy: -132.129115
where:
bonds (distance) C4'-P energy: -33.414
bonds (distance) P-C4' energy: -39.331
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -28.000
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -207.437905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.437905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.437905 (E_RNA)
where:
Base-Base interactions energy: -78.425
where: short stacking energy: -55.239
Base-Backbone interact. energy: 0.161
local terms energy: -129.174012
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -35.192
flat angles C4'-P-C4' energy: -35.867
flat angles P-C4'-P energy: -18.561
tors. eta vs tors. theta energy: 4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -650.909377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.909377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.909377 (E_RNA)
where:
Base-Base interactions energy: -418.736
where: short stacking energy: -208.559
Base-Backbone interact. energy: -3.142
local terms energy: -229.031117
where:
bonds (distance) C4'-P energy: -45.184
bonds (distance) P-C4' energy: -50.386
flat angles C4'-P-C4' energy: -42.688
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -625.624219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.624219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.624219 (E_RNA)
where:
Base-Base interactions energy: -429.131
where: short stacking energy: -184.641
Base-Backbone interact. energy: -1.363
local terms energy: -195.130540
where:
bonds (distance) C4'-P energy: -40.048
bonds (distance) P-C4' energy: -43.886
flat angles C4'-P-C4' energy: -44.602
flat angles P-C4'-P energy: -29.729
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -621.139833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.139833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.139833 (E_RNA)
where:
Base-Base interactions energy: -405.475
where: short stacking energy: -171.453
Base-Backbone interact. energy: -1.980
local terms energy: -213.685023
where:
bonds (distance) C4'-P energy: -48.977
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -41.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -498.893594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.893594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.893594 (E_RNA)
where:
Base-Base interactions energy: -308.771
where: short stacking energy: -152.359
Base-Backbone interact. energy: -1.631
local terms energy: -188.491037
where:
bonds (distance) C4'-P energy: -39.240
bonds (distance) P-C4' energy: -43.048
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -34.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -462.110192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.110192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.110192 (E_RNA)
where:
Base-Base interactions energy: -263.094
where: short stacking energy: -152.229
Base-Backbone interact. energy: -0.966
local terms energy: -198.050678
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -41.193
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -32.200
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -429.038647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.038647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.038647 (E_RNA)
where:
Base-Base interactions energy: -251.224
where: short stacking energy: -139.075
Base-Backbone interact. energy: -0.992
local terms energy: -176.821969
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -45.272
flat angles C4'-P-C4' energy: -45.080
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -27.662
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: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -394.495518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.495518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.495518 (E_RNA)
where:
Base-Base interactions energy: -231.394
where: short stacking energy: -118.946
Base-Backbone interact. energy: -2.417
local terms energy: -160.683830
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -30.247
flat angles C4'-P-C4' energy: -36.650
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: -22.942
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: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -344.629517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.629517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.629517 (E_RNA)
where:
Base-Base interactions energy: -176.662
where: short stacking energy: -86.887
Base-Backbone interact. energy: 1.565
local terms energy: -169.532510
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -48.645
flat angles C4'-P-C4' energy: -40.259
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -211.378203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.378203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378203 (E_RNA)
where:
Base-Base interactions energy: -67.092
where: short stacking energy: -48.656
Base-Backbone interact. energy: 1.991
local terms energy: -146.277642
where:
bonds (distance) C4'-P energy: -38.336
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -43.368
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: 1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -194.926329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.926329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.926329 (E_RNA)
where:
Base-Base interactions energy: -77.069
where: short stacking energy: -71.731
Base-Backbone interact. energy: 0.283
local terms energy: -118.140672
where:
bonds (distance) C4'-P energy: -32.567
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -37.875
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -645.878750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.878750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.878750 (E_RNA)
where:
Base-Base interactions energy: -414.250
where: short stacking energy: -203.163
Base-Backbone interact. energy: 0.662
local terms energy: -232.290501
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -44.429
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -53.666
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: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -639.705716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.705716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.705716 (E_RNA)
where:
Base-Base interactions energy: -437.944
where: short stacking energy: -185.207
Base-Backbone interact. energy: -1.160
local terms energy: -200.601764
where:
bonds (distance) C4'-P energy: -46.285
bonds (distance) P-C4' energy: -44.549
flat angles C4'-P-C4' energy: -46.199
flat angles P-C4'-P energy: -27.647
tors. eta vs tors. theta energy: -35.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -577.534725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.534725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.534725 (E_RNA)
where:
Base-Base interactions energy: -372.700
where: short stacking energy: -175.111
Base-Backbone interact. energy: -2.037
local terms energy: -202.797496
where:
bonds (distance) C4'-P energy: -45.449
bonds (distance) P-C4' energy: -46.315
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -29.494
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: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -521.412707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.412707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.412707 (E_RNA)
where:
Base-Base interactions energy: -324.297
where: short stacking energy: -152.726
Base-Backbone interact. energy: -0.496
local terms energy: -196.619323
where:
bonds (distance) C4'-P energy: -38.286
bonds (distance) P-C4' energy: -55.037
flat angles C4'-P-C4' energy: -47.160
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -26.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -439.041158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.041158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.041158 (E_RNA)
where:
Base-Base interactions energy: -256.817
where: short stacking energy: -104.071
Base-Backbone interact. energy: -1.188
local terms energy: -181.036423
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -43.704
flat angles C4'-P-C4' energy: -51.832
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -18.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -431.579388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.579388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.579388 (E_RNA)
where:
Base-Base interactions energy: -264.476
where: short stacking energy: -140.834
Base-Backbone interact. energy: 1.032
local terms energy: -168.135564
where:
bonds (distance) C4'-P energy: -35.282
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -25.250
tors. eta vs tors. theta energy: -25.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -331.331716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.331716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.331716 (E_RNA)
where:
Base-Base interactions energy: -161.662
where: short stacking energy: -95.570
Base-Backbone interact. energy: -0.700
local terms energy: -168.969493
where:
bonds (distance) C4'-P energy: -42.347
bonds (distance) P-C4' energy: -45.314
flat angles C4'-P-C4' energy: -43.775
flat angles P-C4'-P energy: -22.693
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -343.108736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.108736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.108736 (E_RNA)
where:
Base-Base interactions energy: -184.740
where: short stacking energy: -126.732
Base-Backbone interact. energy: -0.535
local terms energy: -157.833299
where:
bonds (distance) C4'-P energy: -44.679
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -34.586
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -215.998613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.998613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.998613 (E_RNA)
where:
Base-Base interactions energy: -75.160
where: short stacking energy: -55.299
Base-Backbone interact. energy: -1.494
local terms energy: -139.344899
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -41.752
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -200.606729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.606729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.606729 (E_RNA)
where:
Base-Base interactions energy: -64.667
where: short stacking energy: -47.629
Base-Backbone interact. energy: -0.449
local terms energy: -135.490265
where:
bonds (distance) C4'-P energy: -32.249
bonds (distance) P-C4' energy: -50.266
flat angles C4'-P-C4' energy: -40.163
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: 6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -656.011404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.011404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.011404 (E_RNA)
where:
Base-Base interactions energy: -421.878
where: short stacking energy: -196.311
Base-Backbone interact. energy: -2.045
local terms energy: -232.088332
where:
bonds (distance) C4'-P energy: -44.246
bonds (distance) P-C4' energy: -46.400
flat angles C4'-P-C4' energy: -45.673
flat angles P-C4'-P energy: -39.183
tors. eta vs tors. theta energy: -56.586
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: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -617.585111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.585111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.585111 (E_RNA)
where:
Base-Base interactions energy: -410.338
where: short stacking energy: -171.338
Base-Backbone interact. energy: -0.184
local terms energy: -207.063263
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -48.782
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -33.791
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: 18
Temperature: 1.000000
Total energy: -602.776484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.776484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.776484 (E_RNA)
where:
Base-Base interactions energy: -385.949
where: short stacking energy: -172.949
Base-Backbone interact. energy: -1.657
local terms energy: -215.171068
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -47.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -526.513364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.513364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.513364 (E_RNA)
where:
Base-Base interactions energy: -350.969
where: short stacking energy: -161.696
Base-Backbone interact. energy: -0.354
local terms energy: -175.190586
where:
bonds (distance) C4'-P energy: -38.987
bonds (distance) P-C4' energy: -41.971
flat angles C4'-P-C4' energy: -47.161
flat angles P-C4'-P energy: -24.026
tors. eta vs tors. theta energy: -23.045
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: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -460.570444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.570444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.570444 (E_RNA)
where:
Base-Base interactions energy: -266.544
where: short stacking energy: -140.989
Base-Backbone interact. energy: -1.331
local terms energy: -192.695512
where:
bonds (distance) C4'-P energy: -46.616
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -50.276
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -30.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -407.792916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.792916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.792916 (E_RNA)
where:
Base-Base interactions energy: -238.735
where: short stacking energy: -106.119
Base-Backbone interact. energy: -1.095
local terms energy: -167.963134
where:
bonds (distance) C4'-P energy: -39.418
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -38.403
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -20.619
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: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -332.046051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.046051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.046051 (E_RNA)
where:
Base-Base interactions energy: -183.158
where: short stacking energy: -113.964
Base-Backbone interact. energy: -1.497
local terms energy: -147.390485
where:
bonds (distance) C4'-P energy: -35.159
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -33.579
tors. eta vs tors. theta energy: -10.607
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: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -281.029031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.029031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.029031 (E_RNA)
where:
Base-Base interactions energy: -128.311
where: short stacking energy: -85.405
Base-Backbone interact. energy: -2.000
local terms energy: -150.717604
where:
bonds (distance) C4'-P energy: -37.534
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -40.788
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -212.248176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.248176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.248176 (E_RNA)
where:
Base-Base interactions energy: -83.165
where: short stacking energy: -62.815
Base-Backbone interact. energy: 2.337
local terms energy: -131.420595
where:
bonds (distance) C4'-P energy: -40.622
bonds (distance) P-C4' energy: -39.911
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -0.697
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -211.541810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.541810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.541810 (E_RNA)
where:
Base-Base interactions energy: -91.473
where: short stacking energy: -59.881
Base-Backbone interact. energy: -0.651
local terms energy: -119.418674
where:
bonds (distance) C4'-P energy: -32.493
bonds (distance) P-C4' energy: -40.840
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: 3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -660.397752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.397752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.397752 (E_RNA)
where:
Base-Base interactions energy: -424.028
where: short stacking energy: -193.114
Base-Backbone interact. energy: -0.605
local terms energy: -235.763890
where:
bonds (distance) C4'-P energy: -48.926
bonds (distance) P-C4' energy: -40.424
flat angles C4'-P-C4' energy: -56.576
flat angles P-C4'-P energy: -33.550
tors. eta vs tors. theta energy: -56.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -589.781123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.781123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.781123 (E_RNA)
where:
Base-Base interactions energy: -380.190
where: short stacking energy: -169.019
Base-Backbone interact. energy: -0.126
local terms energy: -209.464390
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -46.143
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -47.954
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: 19
Temperature: 1.000000
Total energy: -593.995083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.995083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.995083 (E_RNA)
where:
Base-Base interactions energy: -388.735
where: short stacking energy: -175.655
Base-Backbone interact. energy: -3.645
local terms energy: -201.615457
where:
bonds (distance) C4'-P energy: -37.615
bonds (distance) P-C4' energy: -46.840
flat angles C4'-P-C4' energy: -44.297
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -38.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -489.626980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.626980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.626980 (E_RNA)
where:
Base-Base interactions energy: -302.044
where: short stacking energy: -161.926
Base-Backbone interact. energy: -1.193
local terms energy: -186.390568
where:
bonds (distance) C4'-P energy: -42.638
bonds (distance) P-C4' energy: -40.800
flat angles C4'-P-C4' energy: -42.833
flat angles P-C4'-P energy: -27.187
tors. eta vs tors. theta energy: -32.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -466.428742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.428742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.428742 (E_RNA)
where:
Base-Base interactions energy: -296.899
where: short stacking energy: -137.039
Base-Backbone interact. energy: 0.383
local terms energy: -169.911955
where:
bonds (distance) C4'-P energy: -37.066
bonds (distance) P-C4' energy: -51.609
flat angles C4'-P-C4' energy: -38.679
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -21.476
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: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -432.271920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.271920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.271920 (E_RNA)
where:
Base-Base interactions energy: -254.255
where: short stacking energy: -140.415
Base-Backbone interact. energy: 1.239
local terms energy: -179.256174
where:
bonds (distance) C4'-P energy: -47.614
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -25.719
tors. eta vs tors. theta energy: -31.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -323.442717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.442717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.442717 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -109.747
Base-Backbone interact. energy: -0.823
local terms energy: -170.552408
where:
bonds (distance) C4'-P energy: -46.743
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -35.749
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -23.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -287.237970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.237970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.237970 (E_RNA)
where:
Base-Base interactions energy: -123.535
where: short stacking energy: -84.184
Base-Backbone interact. energy: -0.869
local terms energy: -162.834090
where:
bonds (distance) C4'-P energy: -44.647
bonds (distance) P-C4' energy: -43.617
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -36.156
tors. eta vs tors. theta energy: -7.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -219.465699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.465699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.465699 (E_RNA)
where:
Base-Base interactions energy: -81.527
where: short stacking energy: -72.444
Base-Backbone interact. energy: -0.435
local terms energy: -137.503546
where:
bonds (distance) C4'-P energy: -36.452
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -37.338
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -194.562072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.562072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.562072 (E_RNA)
where:
Base-Base interactions energy: -66.729
where: short stacking energy: -57.867
Base-Backbone interact. energy: 0.312
local terms energy: -128.145045
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -39.024
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -630.781495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.781495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.781495 (E_RNA)
where:
Base-Base interactions energy: -413.651
where: short stacking energy: -183.496
Base-Backbone interact. energy: 0.246
local terms energy: -217.377156
where:
bonds (distance) C4'-P energy: -43.784
bonds (distance) P-C4' energy: -45.814
flat angles C4'-P-C4' energy: -47.263
flat angles P-C4'-P energy: -34.914
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -646.173796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.173796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.173796 (E_RNA)
where:
Base-Base interactions energy: -419.520
where: short stacking energy: -197.825
Base-Backbone interact. energy: 0.871
local terms energy: -227.524315
where:
bonds (distance) C4'-P energy: -42.677
bonds (distance) P-C4' energy: -42.375
flat angles C4'-P-C4' energy: -51.792
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -54.402
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -593.212118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.212118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.212118 (E_RNA)
where:
Base-Base interactions energy: -390.034
where: short stacking energy: -188.422
Base-Backbone interact. energy: -1.283
local terms energy: -201.894659
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -44.147
flat angles C4'-P-C4' energy: -52.335
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -36.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -514.884140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.884140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.884140 (E_RNA)
where:
Base-Base interactions energy: -305.065
where: short stacking energy: -168.892
Base-Backbone interact. energy: -0.434
local terms energy: -209.385012
where:
bonds (distance) C4'-P energy: -39.286
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -51.216
flat angles P-C4'-P energy: -27.996
tors. eta vs tors. theta energy: -39.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -483.476515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.476515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.476515 (E_RNA)
where:
Base-Base interactions energy: -293.659
where: short stacking energy: -137.009
Base-Backbone interact. energy: 1.218
local terms energy: -191.035357
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -48.599
flat angles P-C4'-P energy: -30.385
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: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -468.867967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.867967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.867967 (E_RNA)
where:
Base-Base interactions energy: -299.391
where: short stacking energy: -148.883
Base-Backbone interact. energy: 0.896
local terms energy: -170.373183
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -41.655
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -29.666
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: 20
Temperature: 1.200000
Total energy: -279.162980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.162980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.162980 (E_RNA)
where:
Base-Base interactions energy: -125.953
where: short stacking energy: -67.955
Base-Backbone interact. energy: 0.325
local terms energy: -153.535173
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -44.469
flat angles P-C4'-P energy: -14.675
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: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -290.816418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.816418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.816418 (E_RNA)
where:
Base-Base interactions energy: -146.986
where: short stacking energy: -86.930
Base-Backbone interact. energy: 0.099
local terms energy: -143.929766
where:
bonds (distance) C4'-P energy: -42.762
bonds (distance) P-C4' energy: -42.110
flat angles C4'-P-C4' energy: -43.330
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -203.111052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.111052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.111052 (E_RNA)
where:
Base-Base interactions energy: -65.595
where: short stacking energy: -51.204
Base-Backbone interact. energy: -1.167
local terms energy: -136.348962
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -42.426
flat angles C4'-P-C4' energy: -36.503
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: 8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -194.963400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.963400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.963400 (E_RNA)
where:
Base-Base interactions energy: -53.776
where: short stacking energy: -53.749
Base-Backbone interact. energy: -1.640
local terms energy: -139.546962
where:
bonds (distance) C4'-P energy: -42.948
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -29.238
flat angles P-C4'-P energy: -26.719
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: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -628.287935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.287935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.287935 (E_RNA)
where:
Base-Base interactions energy: -406.330
where: short stacking energy: -175.503
Base-Backbone interact. energy: 0.493
local terms energy: -222.450196
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -48.530
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -44.491
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -643.188374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.188374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.188374 (E_RNA)
where:
Base-Base interactions energy: -411.951
where: short stacking energy: -200.255
Base-Backbone interact. energy: -2.134
local terms energy: -229.103796
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -55.707
flat angles C4'-P-C4' energy: -41.666
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -55.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -614.326686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.326686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.326686 (E_RNA)
where:
Base-Base interactions energy: -406.970
where: short stacking energy: -175.416
Base-Backbone interact. energy: -1.579
local terms energy: -205.776999
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -48.470
flat angles C4'-P-C4' energy: -50.107
flat angles P-C4'-P energy: -24.630
tors. eta vs tors. theta energy: -37.429
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: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -563.956219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.956219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.956219 (E_RNA)
where:
Base-Base interactions energy: -361.949
where: short stacking energy: -144.665
Base-Backbone interact. energy: -1.655
local terms energy: -200.352190
where:
bonds (distance) C4'-P energy: -47.368
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -43.025
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -478.240852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.240852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.240852 (E_RNA)
where:
Base-Base interactions energy: -283.160
where: short stacking energy: -150.789
Base-Backbone interact. energy: -0.788
local terms energy: -194.293098
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -41.056
flat angles C4'-P-C4' energy: -40.830
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -33.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -433.247558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.247558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.247558 (E_RNA)
where:
Base-Base interactions energy: -264.469
where: short stacking energy: -116.242
Base-Backbone interact. energy: 1.663
local terms energy: -170.441878
where:
bonds (distance) C4'-P energy: -44.487
bonds (distance) P-C4' energy: -41.840
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -285.942656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.942656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.942656 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -91.962
Base-Backbone interact. energy: -1.065
local terms energy: -150.562059
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -40.893
flat angles C4'-P-C4' energy: -42.427
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -310.765108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.765108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.765108 (E_RNA)
where:
Base-Base interactions energy: -168.025
where: short stacking energy: -109.861
Base-Backbone interact. energy: -0.282
local terms energy: -142.458100
where:
bonds (distance) C4'-P energy: -41.500
bonds (distance) P-C4' energy: -38.719
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -245.648861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.648861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.648861 (E_RNA)
where:
Base-Base interactions energy: -101.082
where: short stacking energy: -59.197
Base-Backbone interact. energy: 0.694
local terms energy: -145.261109
where:
bonds (distance) C4'-P energy: -41.688
bonds (distance) P-C4' energy: -36.947
flat angles C4'-P-C4' energy: -42.297
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -5.392
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: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -206.324042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.324042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.324042 (E_RNA)
where:
Base-Base interactions energy: -72.448
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.961
local terms energy: -132.914399
where:
bonds (distance) C4'-P energy: -43.886
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -34.272
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: 5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -637.599801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.599801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.599801 (E_RNA)
where:
Base-Base interactions energy: -415.332
where: short stacking energy: -186.246
Base-Backbone interact. energy: -1.652
local terms energy: -220.615438
where:
bonds (distance) C4'-P energy: -44.493
bonds (distance) P-C4' energy: -43.968
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -47.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -638.599761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.599761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.599761 (E_RNA)
where:
Base-Base interactions energy: -414.673
where: short stacking energy: -208.131
Base-Backbone interact. energy: -2.298
local terms energy: -221.628295
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -46.645
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -61.171
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: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -630.624474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.624474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.624474 (E_RNA)
where:
Base-Base interactions energy: -428.870
where: short stacking energy: -177.656
Base-Backbone interact. energy: -1.315
local terms energy: -200.439373
where:
bonds (distance) C4'-P energy: -45.896
bonds (distance) P-C4' energy: -50.004
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -30.292
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: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -581.697850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.697850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.697850 (E_RNA)
where:
Base-Base interactions energy: -386.653
where: short stacking energy: -169.346
Base-Backbone interact. energy: -0.770
local terms energy: -194.275348
where:
bonds (distance) C4'-P energy: -38.899
bonds (distance) P-C4' energy: -35.199
flat angles C4'-P-C4' energy: -41.833
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -47.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -490.446701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.446701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.446701 (E_RNA)
where:
Base-Base interactions energy: -308.467
where: short stacking energy: -153.211
Base-Backbone interact. energy: -0.112
local terms energy: -181.867207
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -40.062
flat angles P-C4'-P energy: -16.260
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: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -450.039653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.039653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.039653 (E_RNA)
where:
Base-Base interactions energy: -280.857
where: short stacking energy: -125.074
Base-Backbone interact. energy: -1.586
local terms energy: -167.596000
where:
bonds (distance) C4'-P energy: -35.115
bonds (distance) P-C4' energy: -42.328
flat angles C4'-P-C4' energy: -35.719
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -30.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -338.718247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.718247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.718247 (E_RNA)
where:
Base-Base interactions energy: -192.868
where: short stacking energy: -104.261
Base-Backbone interact. energy: -0.836
local terms energy: -145.013731
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -37.836
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -18.353
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: 22
Temperature: 1.250000
Total energy: -225.336111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.336111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.336111 (E_RNA)
where:
Base-Base interactions energy: -88.326
where: short stacking energy: -80.453
Base-Backbone interact. energy: -1.249
local terms energy: -135.761225
where:
bonds (distance) C4'-P energy: -35.901
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -31.645
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -8.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -222.436430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.436430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.436430 (E_RNA)
where:
Base-Base interactions energy: -75.990
where: short stacking energy: -55.458
Base-Backbone interact. energy: -1.443
local terms energy: -145.003873
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -35.756
flat angles C4'-P-C4' energy: -46.143
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: 4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -211.312825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.312825 (E_RNA)
where:
Base-Base interactions energy: -81.159
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.509
local terms energy: -129.644199
where:
bonds (distance) C4'-P energy: -37.796
bonds (distance) P-C4' energy: -39.251
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -631.044416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.044416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.044416 (E_RNA)
where:
Base-Base interactions energy: -424.328
where: short stacking energy: -193.249
Base-Backbone interact. energy: -0.748
local terms energy: -205.968960
where:
bonds (distance) C4'-P energy: -44.761
bonds (distance) P-C4' energy: -44.908
flat angles C4'-P-C4' energy: -49.466
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -39.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -640.033316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.033316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.033316 (E_RNA)
where:
Base-Base interactions energy: -454.649
where: short stacking energy: -184.326
Base-Backbone interact. energy: -0.919
local terms energy: -184.465553
where:
bonds (distance) C4'-P energy: -33.844
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: -40.307
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: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -629.218221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.218221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.218221 (E_RNA)
where:
Base-Base interactions energy: -410.755
where: short stacking energy: -188.807
Base-Backbone interact. energy: -1.399
local terms energy: -217.063663
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -49.072
flat angles C4'-P-C4' energy: -44.832
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -51.961
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -596.599680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.599680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.599680 (E_RNA)
where:
Base-Base interactions energy: -395.972
where: short stacking energy: -179.732
Base-Backbone interact. energy: 2.393
local terms energy: -203.020909
where:
bonds (distance) C4'-P energy: -41.226
bonds (distance) P-C4' energy: -37.659
flat angles C4'-P-C4' energy: -48.393
flat angles P-C4'-P energy: -32.561
tors. eta vs tors. theta energy: -43.181
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: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -509.584864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.584864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.584864 (E_RNA)
where:
Base-Base interactions energy: -296.974
where: short stacking energy: -157.783
Base-Backbone interact. energy: -0.257
local terms energy: -212.354289
where:
bonds (distance) C4'-P energy: -44.819
bonds (distance) P-C4' energy: -47.809
flat angles C4'-P-C4' energy: -47.808
flat angles P-C4'-P energy: -28.067
tors. eta vs tors. theta energy: -43.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -453.421933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.421933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.421933 (E_RNA)
where:
Base-Base interactions energy: -300.806
where: short stacking energy: -138.105
Base-Backbone interact. energy: 0.135
local terms energy: -152.751148
where:
bonds (distance) C4'-P energy: -31.158
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -30.238
flat angles P-C4'-P energy: -31.097
tors. eta vs tors. theta energy: -26.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -345.061136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.061136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.061136 (E_RNA)
where:
Base-Base interactions energy: -179.240
where: short stacking energy: -111.635
Base-Backbone interact. energy: -0.857
local terms energy: -164.964124
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -33.890
flat angles P-C4'-P energy: -22.722
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -246.360400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.360400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.360400 (E_RNA)
where:
Base-Base interactions energy: -115.046
where: short stacking energy: -87.679
Base-Backbone interact. energy: 2.130
local terms energy: -133.444828
where:
bonds (distance) C4'-P energy: -31.330
bonds (distance) P-C4' energy: -44.161
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -12.050
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: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -269.858905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.858905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.858905 (E_RNA)
where:
Base-Base interactions energy: -124.675
where: short stacking energy: -83.404
Base-Backbone interact. energy: -1.034
local terms energy: -144.149973
where:
bonds (distance) C4'-P energy: -32.843
bonds (distance) P-C4' energy: -46.168
flat angles C4'-P-C4' energy: -31.898
flat angles P-C4'-P energy: -23.440
tors. eta vs tors. theta energy: -9.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -201.036101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.036101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.036101 (E_RNA)
where:
Base-Base interactions energy: -61.701
where: short stacking energy: -51.969
Base-Backbone interact. energy: -0.812
local terms energy: -138.523100
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -44.491
flat angles C4'-P-C4' energy: -35.163
flat angles P-C4'-P energy: -27.430
tors. eta vs tors. theta energy: 4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -645.399390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.399390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.399390 (E_RNA)
where:
Base-Base interactions energy: -422.900
where: short stacking energy: -195.100
Base-Backbone interact. energy: -1.695
local terms energy: -220.805059
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -52.765
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: -46.463
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: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -647.447774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.447774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.447774 (E_RNA)
where:
Base-Base interactions energy: -436.002
where: short stacking energy: -166.230
Base-Backbone interact. energy: -1.006
local terms energy: -210.439199
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -51.814
flat angles P-C4'-P energy: -29.702
tors. eta vs tors. theta energy: -36.105
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: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -638.981718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.981718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.981718 (E_RNA)
where:
Base-Base interactions energy: -422.853
where: short stacking energy: -197.707
Base-Backbone interact. energy: -2.963
local terms energy: -213.165501
where:
bonds (distance) C4'-P energy: -38.705
bonds (distance) P-C4' energy: -47.308
flat angles C4'-P-C4' energy: -43.902
flat angles P-C4'-P energy: -26.934
tors. eta vs tors. theta energy: -56.317
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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -577.936390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.936390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.936390 (E_RNA)
where:
Base-Base interactions energy: -375.916
where: short stacking energy: -175.196
Base-Backbone interact. energy: -0.577
local terms energy: -201.442986
where:
bonds (distance) C4'-P energy: -43.424
bonds (distance) P-C4' energy: -52.414
flat angles C4'-P-C4' energy: -40.280
flat angles P-C4'-P energy: -31.089
tors. eta vs tors. theta energy: -34.236
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: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -498.330025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.330025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.330025 (E_RNA)
where:
Base-Base interactions energy: -293.464
where: short stacking energy: -162.251
Base-Backbone interact. energy: -0.662
local terms energy: -204.203738
where:
bonds (distance) C4'-P energy: -41.286
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -50.779
flat angles P-C4'-P energy: -30.222
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -469.477406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.477406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.477406 (E_RNA)
where:
Base-Base interactions energy: -299.817
where: short stacking energy: -138.781
Base-Backbone interact. energy: -0.888
local terms energy: -168.772916
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -46.117
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -27.728
tors. eta vs tors. theta energy: -17.971
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -344.246327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.246327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.246327 (E_RNA)
where:
Base-Base interactions energy: -175.446
where: short stacking energy: -108.395
Base-Backbone interact. energy: 0.214
local terms energy: -169.013712
where:
bonds (distance) C4'-P energy: -38.602
bonds (distance) P-C4' energy: -44.845
flat angles C4'-P-C4' energy: -34.821
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -234.025073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.025073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.025073 (E_RNA)
where:
Base-Base interactions energy: -99.131
where: short stacking energy: -74.323
Base-Backbone interact. energy: -0.720
local terms energy: -134.174123
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -36.458
flat angles C4'-P-C4' energy: -34.973
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -238.236856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.236856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.236856 (E_RNA)
where:
Base-Base interactions energy: -93.491
where: short stacking energy: -72.462
Base-Backbone interact. energy: 2.362
local terms energy: -147.107658
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -38.503
flat angles C4'-P-C4' energy: -39.958
flat angles P-C4'-P energy: -28.309
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -233.882949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.882949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.882949 (E_RNA)
where:
Base-Base interactions energy: -111.723
where: short stacking energy: -68.563
Base-Backbone interact. energy: -0.030
local terms energy: -122.130397
where:
bonds (distance) C4'-P energy: -31.888
bonds (distance) P-C4' energy: -41.081
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: 0.246
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: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -665.702328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.702328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.702328 (E_RNA)
where:
Base-Base interactions energy: -433.959
where: short stacking energy: -195.937
Base-Backbone interact. energy: -0.884
local terms energy: -230.858825
where:
bonds (distance) C4'-P energy: -41.846
bonds (distance) P-C4' energy: -49.297
flat angles C4'-P-C4' energy: -50.422
flat angles P-C4'-P energy: -34.737
tors. eta vs tors. theta energy: -54.556
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: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -646.586029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.586029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.586029 (E_RNA)
where:
Base-Base interactions energy: -458.615
where: short stacking energy: -183.661
Base-Backbone interact. energy: -2.269
local terms energy: -185.702576
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -40.962
flat angles C4'-P-C4' energy: -51.278
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -37.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -591.985942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.985942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.985942 (E_RNA)
where:
Base-Base interactions energy: -375.390
where: short stacking energy: -175.188
Base-Backbone interact. energy: -0.331
local terms energy: -216.264153
where:
bonds (distance) C4'-P energy: -40.786
bonds (distance) P-C4' energy: -49.255
flat angles C4'-P-C4' energy: -43.089
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -49.321
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: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -600.368608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.368608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.368608 (E_RNA)
where:
Base-Base interactions energy: -409.009
where: short stacking energy: -184.027
Base-Backbone interact. energy: -0.860
local terms energy: -190.499789
where:
bonds (distance) C4'-P energy: -35.759
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -46.299
flat angles P-C4'-P energy: -27.448
tors. eta vs tors. theta energy: -40.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -481.016847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.016847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.016847 (E_RNA)
where:
Base-Base interactions energy: -290.988
where: short stacking energy: -151.213
Base-Backbone interact. energy: -1.627
local terms energy: -188.401853
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -29.965
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: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -478.953965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.953965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.953965 (E_RNA)
where:
Base-Base interactions energy: -299.911
where: short stacking energy: -145.462
Base-Backbone interact. energy: 0.824
local terms energy: -179.866984
where:
bonds (distance) C4'-P energy: -43.489
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -35.352
flat angles P-C4'-P energy: -29.508
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -297.815983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.815983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.815983 (E_RNA)
where:
Base-Base interactions energy: -157.064
where: short stacking energy: -100.640
Base-Backbone interact. energy: -1.261
local terms energy: -139.490209
where:
bonds (distance) C4'-P energy: -42.912
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -28.255
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -251.634837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.634837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.634837 (E_RNA)
where:
Base-Base interactions energy: -96.597
where: short stacking energy: -78.698
Base-Backbone interact. energy: -0.937
local terms energy: -154.101094
where:
bonds (distance) C4'-P energy: -36.198
bonds (distance) P-C4' energy: -48.164
flat angles C4'-P-C4' energy: -41.245
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: -4.962
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -219.684552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.684552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.684552 (E_RNA)
where:
Base-Base interactions energy: -61.093
where: short stacking energy: -61.093
Base-Backbone interact. energy: 0.728
local terms energy: -159.319612
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -48.308
flat angles C4'-P-C4' energy: -37.595
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -4.031
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: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -245.700769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.700769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.700769 (E_RNA)
where:
Base-Base interactions energy: -113.099
where: short stacking energy: -81.049
Base-Backbone interact. energy: -1.432
local terms energy: -131.170022
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -43.545
flat angles C4'-P-C4' energy: -39.197
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -665.054961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.054961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.054961 (E_RNA)
where:
Base-Base interactions energy: -448.196
where: short stacking energy: -199.936
Base-Backbone interact. energy: -1.671
local terms energy: -215.188431
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -52.140
flat angles C4'-P-C4' energy: -56.306
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -39.418
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: 26
Temperature: 0.950000
Total energy: -628.336752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.336752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.336752 (E_RNA)
where:
Base-Base interactions energy: -406.055
where: short stacking energy: -176.816
Base-Backbone interact. energy: 0.368
local terms energy: -222.649367
where:
bonds (distance) C4'-P energy: -41.438
bonds (distance) P-C4' energy: -52.947
flat angles C4'-P-C4' energy: -52.044
flat angles P-C4'-P energy: -35.205
tors. eta vs tors. theta energy: -41.015
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: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -589.542830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.542830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.542830 (E_RNA)
where:
Base-Base interactions energy: -376.651
where: short stacking energy: -164.680
Base-Backbone interact. energy: -0.484
local terms energy: -212.408168
where:
bonds (distance) C4'-P energy: -42.688
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -43.499
flat angles P-C4'-P energy: -36.099
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: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -567.023458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.023458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.023458 (E_RNA)
where:
Base-Base interactions energy: -358.488
where: short stacking energy: -170.756
Base-Backbone interact. energy: -1.117
local terms energy: -207.419167
where:
bonds (distance) C4'-P energy: -43.081
bonds (distance) P-C4' energy: -42.247
flat angles C4'-P-C4' energy: -39.930
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -520.535542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.535542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.535542 (E_RNA)
where:
Base-Base interactions energy: -314.994
where: short stacking energy: -157.532
Base-Backbone interact. energy: -0.250
local terms energy: -205.292386
where:
bonds (distance) C4'-P energy: -42.687
bonds (distance) P-C4' energy: -47.883
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -30.118
tors. eta vs tors. theta energy: -38.106
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: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -445.592641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.592641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.592641 (E_RNA)
where:
Base-Base interactions energy: -258.318
where: short stacking energy: -153.543
Base-Backbone interact. energy: -0.572
local terms energy: -186.702787
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -40.189
flat angles C4'-P-C4' energy: -46.294
flat angles P-C4'-P energy: -15.395
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: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -324.319437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.319437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.319437 (E_RNA)
where:
Base-Base interactions energy: -170.162
where: short stacking energy: -108.202
Base-Backbone interact. energy: 0.364
local terms energy: -154.520954
where:
bonds (distance) C4'-P energy: -41.239
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -40.748
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -269.671846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.671846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.671846 (E_RNA)
where:
Base-Base interactions energy: -133.907
where: short stacking energy: -80.328
Base-Backbone interact. energy: -0.508
local terms energy: -135.256983
where:
bonds (distance) C4'-P energy: -45.280
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -42.914
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: 5.155
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: 26
Temperature: 1.300000
Total energy: -232.534943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.534943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.534943 (E_RNA)
where:
Base-Base interactions energy: -117.379
where: short stacking energy: -83.739
Base-Backbone interact. energy: 0.142
local terms energy: -115.297046
where:
bonds (distance) C4'-P energy: -26.987
bonds (distance) P-C4' energy: -38.341
flat angles C4'-P-C4' energy: -37.799
flat angles P-C4'-P energy: -11.132
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: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -199.546479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.546479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.546479 (E_RNA)
where:
Base-Base interactions energy: -63.437
where: short stacking energy: -40.144
Base-Backbone interact. energy: 0.207
local terms energy: -136.316608
where:
bonds (distance) C4'-P energy: -36.301
bonds (distance) P-C4' energy: -48.721
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: 9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -681.356169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.356169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.356169 (E_RNA)
where:
Base-Base interactions energy: -471.029
where: short stacking energy: -193.564
Base-Backbone interact. energy: -1.436
local terms energy: -208.890961
where:
bonds (distance) C4'-P energy: -43.326
bonds (distance) P-C4' energy: -47.216
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -33.755
tors. eta vs tors. theta energy: -38.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -634.197964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.197964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.197964 (E_RNA)
where:
Base-Base interactions energy: -405.916
where: short stacking energy: -189.341
Base-Backbone interact. energy: 0.170
local terms energy: -228.451524
where:
bonds (distance) C4'-P energy: -48.209
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -46.650
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -53.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -578.003341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.003341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.003341 (E_RNA)
where:
Base-Base interactions energy: -375.712
where: short stacking energy: -168.501
Base-Backbone interact. energy: -0.308
local terms energy: -201.983325
where:
bonds (distance) C4'-P energy: -44.217
bonds (distance) P-C4' energy: -46.776
flat angles C4'-P-C4' energy: -42.603
flat angles P-C4'-P energy: -34.601
tors. eta vs tors. theta energy: -33.786
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: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -624.426456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.426456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.426456 (E_RNA)
where:
Base-Base interactions energy: -390.628
where: short stacking energy: -187.541
Base-Backbone interact. energy: -0.491
local terms energy: -233.307633
where:
bonds (distance) C4'-P energy: -39.427
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -50.694
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -61.309
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: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -504.999402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.999402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.999402 (E_RNA)
where:
Base-Base interactions energy: -313.064
where: short stacking energy: -161.244
Base-Backbone interact. energy: -1.574
local terms energy: -190.361476
where:
bonds (distance) C4'-P energy: -35.600
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -29.896
tors. eta vs tors. theta energy: -38.798
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: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -484.352582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.352582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.352582 (E_RNA)
where:
Base-Base interactions energy: -309.926
where: short stacking energy: -151.860
Base-Backbone interact. energy: 1.540
local terms energy: -175.965976
where:
bonds (distance) C4'-P energy: -44.273
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -408.259093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.259093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.259093 (E_RNA)
where:
Base-Base interactions energy: -214.608
where: short stacking energy: -133.823
Base-Backbone interact. energy: 0.709
local terms energy: -194.360064
where:
bonds (distance) C4'-P energy: -47.171
bonds (distance) P-C4' energy: -50.281
flat angles C4'-P-C4' energy: -43.284
flat angles P-C4'-P energy: -27.225
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -314.736031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.736031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.736031 (E_RNA)
where:
Base-Base interactions energy: -163.669
where: short stacking energy: -86.335
Base-Backbone interact. energy: -0.450
local terms energy: -150.617043
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -41.608
flat angles C4'-P-C4' energy: -33.297
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -223.549291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.549291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.549291 (E_RNA)
where:
Base-Base interactions energy: -91.245
where: short stacking energy: -84.693
Base-Backbone interact. energy: -0.352
local terms energy: -131.952075
where:
bonds (distance) C4'-P energy: -39.269
bonds (distance) P-C4' energy: -42.693
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -195.683947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.683947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.683947 (E_RNA)
where:
Base-Base interactions energy: -72.060
where: short stacking energy: -70.794
Base-Backbone interact. energy: 4.957
local terms energy: -128.581506
where:
bonds (distance) C4'-P energy: -36.804
bonds (distance) P-C4' energy: -39.206
flat angles C4'-P-C4' energy: -33.737
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: 2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -687.089939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.089939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.089939 (E_RNA)
where:
Base-Base interactions energy: -486.160
where: short stacking energy: -191.739
Base-Backbone interact. energy: -0.360
local terms energy: -200.570139
where:
bonds (distance) C4'-P energy: -41.779
bonds (distance) P-C4' energy: -41.364
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -45.138
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: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -629.889090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.889090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.889090 (E_RNA)
where:
Base-Base interactions energy: -408.928
where: short stacking energy: -189.097
Base-Backbone interact. energy: -0.422
local terms energy: -220.539179
where:
bonds (distance) C4'-P energy: -48.777
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -47.282
flat angles P-C4'-P energy: -29.375
tors. eta vs tors. theta energy: -46.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -581.586218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.586218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.586218 (E_RNA)
where:
Base-Base interactions energy: -355.728
where: short stacking energy: -174.953
Base-Backbone interact. energy: 0.375
local terms energy: -226.233905
where:
bonds (distance) C4'-P energy: -47.620
bonds (distance) P-C4' energy: -42.344
flat angles C4'-P-C4' energy: -44.911
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -55.417
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: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -555.976964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.976964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.976964 (E_RNA)
where:
Base-Base interactions energy: -364.530
where: short stacking energy: -148.798
Base-Backbone interact. energy: -0.873
local terms energy: -190.573139
where:
bonds (distance) C4'-P energy: -46.763
bonds (distance) P-C4' energy: -45.597
flat angles C4'-P-C4' energy: -41.183
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: -29.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -506.384441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.384441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.384441 (E_RNA)
where:
Base-Base interactions energy: -295.063
where: short stacking energy: -138.175
Base-Backbone interact. energy: -0.647
local terms energy: -210.674747
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -48.548
flat angles C4'-P-C4' energy: -41.298
flat angles P-C4'-P energy: -38.826
tors. eta vs tors. theta energy: -28.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -460.324201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.324201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.324201 (E_RNA)
where:
Base-Base interactions energy: -283.370
where: short stacking energy: -135.719
Base-Backbone interact. energy: 3.588
local terms energy: -180.541413
where:
bonds (distance) C4'-P energy: -48.311
bonds (distance) P-C4' energy: -47.011
flat angles C4'-P-C4' energy: -42.010
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -22.805
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: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -411.456813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.456813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.456813 (E_RNA)
where:
Base-Base interactions energy: -242.232
where: short stacking energy: -127.190
Base-Backbone interact. energy: -0.049
local terms energy: -169.175693
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -48.323
flat angles C4'-P-C4' energy: -34.662
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -25.479
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -248.340105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.340105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.340105 (E_RNA)
where:
Base-Base interactions energy: -91.960
where: short stacking energy: -71.473
Base-Backbone interact. energy: 1.640
local terms energy: -158.020425
where:
bonds (distance) C4'-P energy: -39.715
bonds (distance) P-C4' energy: -44.204
flat angles C4'-P-C4' energy: -35.594
flat angles P-C4'-P energy: -29.734
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -224.122264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.122264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.122264 (E_RNA)
where:
Base-Base interactions energy: -80.086
where: short stacking energy: -80.086
Base-Backbone interact. energy: 0.138
local terms energy: -144.174137
where:
bonds (distance) C4'-P energy: -34.473
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -30.039
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -188.169755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.169755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.169755 (E_RNA)
where:
Base-Base interactions energy: -73.870
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.712
local terms energy: -113.588420
where:
bonds (distance) C4'-P energy: -29.684
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -32.617
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: 7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -689.437068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.437068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.437068 (E_RNA)
where:
Base-Base interactions energy: -477.139
where: short stacking energy: -211.338
Base-Backbone interact. energy: -2.132
local terms energy: -210.166527
where:
bonds (distance) C4'-P energy: -46.880
bonds (distance) P-C4' energy: -42.566
flat angles C4'-P-C4' energy: -47.404
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -45.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -634.292624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.292624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.292624 (E_RNA)
where:
Base-Base interactions energy: -417.383
where: short stacking energy: -178.869
Base-Backbone interact. energy: -1.159
local terms energy: -215.751117
where:
bonds (distance) C4'-P energy: -45.566
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -47.508
flat angles P-C4'-P energy: -32.041
tors. eta vs tors. theta energy: -39.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -592.404096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.404096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.404096 (E_RNA)
where:
Base-Base interactions energy: -385.620
where: short stacking energy: -209.825
Base-Backbone interact. energy: -0.483
local terms energy: -206.300849
where:
bonds (distance) C4'-P energy: -38.371
bonds (distance) P-C4' energy: -34.860
flat angles C4'-P-C4' energy: -45.640
flat angles P-C4'-P energy: -31.031
tors. eta vs tors. theta energy: -56.398
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: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -533.990232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.990232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.990232 (E_RNA)
where:
Base-Base interactions energy: -320.116
where: short stacking energy: -170.001
Base-Backbone interact. energy: -0.438
local terms energy: -213.435584
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -50.758
flat angles C4'-P-C4' energy: -49.325
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -40.414
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: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -518.237225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.237225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.237225 (E_RNA)
where:
Base-Base interactions energy: -328.413
where: short stacking energy: -154.203
Base-Backbone interact. energy: -1.097
local terms energy: -188.727598
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -52.859
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -31.212
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: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -459.557235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.557235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.557235 (E_RNA)
where:
Base-Base interactions energy: -267.632
where: short stacking energy: -132.044
Base-Backbone interact. energy: 0.835
local terms energy: -192.760260
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -48.902
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -434.325450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.325450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.325450 (E_RNA)
where:
Base-Base interactions energy: -247.010
where: short stacking energy: -134.566
Base-Backbone interact. energy: -0.373
local terms energy: -186.941889
where:
bonds (distance) C4'-P energy: -40.545
bonds (distance) P-C4' energy: -49.519
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -31.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -249.159545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.159545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.159545 (E_RNA)
where:
Base-Base interactions energy: -104.443
where: short stacking energy: -88.725
Base-Backbone interact. energy: -0.835
local terms energy: -143.881212
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -31.445
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -204.710085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.710085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.710085 (E_RNA)
where:
Base-Base interactions energy: -82.714
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.493
local terms energy: -121.503710
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -30.492
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: 2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -211.924229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.924229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.924229 (E_RNA)
where:
Base-Base interactions energy: -86.917
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.451
local terms energy: -124.555421
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -43.946
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -688.624151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.624151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.624151 (E_RNA)
where:
Base-Base interactions energy: -474.043
where: short stacking energy: -185.471
Base-Backbone interact. energy: 1.219
local terms energy: -215.799307
where:
bonds (distance) C4'-P energy: -48.242
bonds (distance) P-C4' energy: -51.609
flat angles C4'-P-C4' energy: -44.647
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -40.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -647.312042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.312042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.312042 (E_RNA)
where:
Base-Base interactions energy: -415.386
where: short stacking energy: -197.023
Base-Backbone interact. energy: 0.105
local terms energy: -232.031318
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -50.211
flat angles P-C4'-P energy: -32.240
tors. eta vs tors. theta energy: -46.245
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: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -584.293283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.293283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.293283 (E_RNA)
where:
Base-Base interactions energy: -359.140
where: short stacking energy: -170.167
Base-Backbone interact. energy: -1.249
local terms energy: -223.904521
where:
bonds (distance) C4'-P energy: -41.863
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -53.666
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: -45.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -561.256848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.256848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.256848 (E_RNA)
where:
Base-Base interactions energy: -353.478
where: short stacking energy: -174.813
Base-Backbone interact. energy: -0.937
local terms energy: -206.841558
where:
bonds (distance) C4'-P energy: -47.805
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -45.633
flat angles P-C4'-P energy: -27.751
tors. eta vs tors. theta energy: -48.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -510.050553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.050553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.050553 (E_RNA)
where:
Base-Base interactions energy: -317.503
where: short stacking energy: -177.444
Base-Backbone interact. energy: -0.426
local terms energy: -192.120723
where:
bonds (distance) C4'-P energy: -46.118
bonds (distance) P-C4' energy: -44.071
flat angles C4'-P-C4' energy: -41.802
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -42.792
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: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -434.319038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.319038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.319038 (E_RNA)
where:
Base-Base interactions energy: -259.275
where: short stacking energy: -128.825
Base-Backbone interact. energy: -1.143
local terms energy: -173.901100
where:
bonds (distance) C4'-P energy: -41.511
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -18.141
tors. eta vs tors. theta energy: -27.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -419.820161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.820161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.820161 (E_RNA)
where:
Base-Base interactions energy: -254.273
where: short stacking energy: -130.184
Base-Backbone interact. energy: -0.532
local terms energy: -165.015012
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -44.896
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -222.854664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.854664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.854664 (E_RNA)
where:
Base-Base interactions energy: -97.647
where: short stacking energy: -81.582
Base-Backbone interact. energy: 2.012
local terms energy: -127.219652
where:
bonds (distance) C4'-P energy: -30.043
bonds (distance) P-C4' energy: -44.909
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -225.235709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.235709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.235709 (E_RNA)
where:
Base-Base interactions energy: -75.781
where: short stacking energy: -55.750
Base-Backbone interact. energy: -1.325
local terms energy: -148.129320
where:
bonds (distance) C4'-P energy: -42.056
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -38.555
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: 2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -216.547495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.547495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.547495 (E_RNA)
where:
Base-Base interactions energy: -81.290
where: short stacking energy: -71.206
Base-Backbone interact. energy: -0.372
local terms energy: -134.884973
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -41.601
flat angles P-C4'-P energy: -23.332
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: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -679.992004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.992004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.992004 (E_RNA)
where:
Base-Base interactions energy: -477.212
where: short stacking energy: -200.847
Base-Backbone interact. energy: -3.285
local terms energy: -199.495622
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -43.021
flat angles C4'-P-C4' energy: -44.675
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -42.672
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -654.628692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.628692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.628692 (E_RNA)
where:
Base-Base interactions energy: -424.492
where: short stacking energy: -189.104
Base-Backbone interact. energy: 0.130
local terms energy: -230.266743
where:
bonds (distance) C4'-P energy: -38.640
bonds (distance) P-C4' energy: -50.279
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -48.754
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: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -547.941544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.941544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.941544 (E_RNA)
where:
Base-Base interactions energy: -344.776
where: short stacking energy: -160.328
Base-Backbone interact. energy: -0.238
local terms energy: -202.927685
where:
bonds (distance) C4'-P energy: -49.215
bonds (distance) P-C4' energy: -46.299
flat angles C4'-P-C4' energy: -49.528
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: -35.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -569.320081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.320081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.320081 (E_RNA)
where:
Base-Base interactions energy: -362.454
where: short stacking energy: -172.218
Base-Backbone interact. energy: -1.514
local terms energy: -205.352409
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -44.493
flat angles C4'-P-C4' energy: -40.977
flat angles P-C4'-P energy: -32.501
tors. eta vs tors. theta energy: -41.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -532.352498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.352498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.352498 (E_RNA)
where:
Base-Base interactions energy: -334.589
where: short stacking energy: -152.058
Base-Backbone interact. energy: -0.852
local terms energy: -196.911412
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -39.914
flat angles P-C4'-P energy: -25.517
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: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -436.948236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.948236 (E_RNA)
where:
Base-Base interactions energy: -247.847
where: short stacking energy: -126.229
Base-Backbone interact. energy: -0.834
local terms energy: -188.267827
where:
bonds (distance) C4'-P energy: -40.372
bonds (distance) P-C4' energy: -47.944
flat angles C4'-P-C4' energy: -45.856
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -26.200
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: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -444.006830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.006830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.006830 (E_RNA)
where:
Base-Base interactions energy: -270.427
where: short stacking energy: -126.729
Base-Backbone interact. energy: 1.057
local terms energy: -174.636424
where:
bonds (distance) C4'-P energy: -43.474
bonds (distance) P-C4' energy: -32.811
flat angles C4'-P-C4' energy: -46.937
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -18.966
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: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -233.419845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.419845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.419845 (E_RNA)
where:
Base-Base interactions energy: -98.548
where: short stacking energy: -78.192
Base-Backbone interact. energy: -0.572
local terms energy: -134.299065
where:
bonds (distance) C4'-P energy: -34.039
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -30.841
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -224.579018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.579018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.579018 (E_RNA)
where:
Base-Base interactions energy: -95.112
where: short stacking energy: -58.971
Base-Backbone interact. energy: -0.635
local terms energy: -128.831613
where:
bonds (distance) C4'-P energy: -34.043
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -218.951210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.951210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.951210 (E_RNA)
where:
Base-Base interactions energy: -85.817
where: short stacking energy: -75.405
Base-Backbone interact. energy: 1.182
local terms energy: -134.316055
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -35.114
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -681.226005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.226005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.226005 (E_RNA)
where:
Base-Base interactions energy: -477.535
where: short stacking energy: -202.020
Base-Backbone interact. energy: 0.870
local terms energy: -204.561189
where:
bonds (distance) C4'-P energy: -41.694
bonds (distance) P-C4' energy: -44.347
flat angles C4'-P-C4' energy: -53.866
flat angles P-C4'-P energy: -26.864
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: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -622.114367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.114367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.114367 (E_RNA)
where:
Base-Base interactions energy: -392.677
where: short stacking energy: -179.061
Base-Backbone interact. energy: -1.273
local terms energy: -228.163964
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -43.009
flat angles C4'-P-C4' energy: -44.244
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -51.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -585.067011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.067011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.067011 (E_RNA)
where:
Base-Base interactions energy: -366.867
where: short stacking energy: -181.860
Base-Backbone interact. energy: -0.712
local terms energy: -217.488349
where:
bonds (distance) C4'-P energy: -41.996
bonds (distance) P-C4' energy: -44.083
flat angles C4'-P-C4' energy: -42.387
flat angles P-C4'-P energy: -33.534
tors. eta vs tors. theta energy: -55.488
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: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -576.225663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.225663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.225663 (E_RNA)
where:
Base-Base interactions energy: -379.598
where: short stacking energy: -155.809
Base-Backbone interact. energy: -0.303
local terms energy: -196.324998
where:
bonds (distance) C4'-P energy: -42.608
bonds (distance) P-C4' energy: -48.257
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -32.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -507.541810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.541810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.541810 (E_RNA)
where:
Base-Base interactions energy: -329.108
where: short stacking energy: -155.062
Base-Backbone interact. energy: 2.349
local terms energy: -180.782761
where:
bonds (distance) C4'-P energy: -41.117
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -39.128
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -37.601
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: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -408.533922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.533922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.533922 (E_RNA)
where:
Base-Base interactions energy: -230.151
where: short stacking energy: -122.688
Base-Backbone interact. energy: 0.443
local terms energy: -178.825866
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -41.459
flat angles P-C4'-P energy: -27.634
tors. eta vs tors. theta energy: -22.986
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: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -469.657505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.657505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.657505 (E_RNA)
where:
Base-Base interactions energy: -291.195
where: short stacking energy: -136.682
Base-Backbone interact. energy: 0.169
local terms energy: -178.631081
where:
bonds (distance) C4'-P energy: -35.699
bonds (distance) P-C4' energy: -40.557
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -32.203
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -276.468493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.468493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.468493 (E_RNA)
where:
Base-Base interactions energy: -139.551
where: short stacking energy: -80.939
Base-Backbone interact. energy: -0.663
local terms energy: -136.254502
where:
bonds (distance) C4'-P energy: -35.055
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -38.642
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -231.091984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.091984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.091984 (E_RNA)
where:
Base-Base interactions energy: -80.045
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.891
local terms energy: -150.156076
where:
bonds (distance) C4'-P energy: -43.520
bonds (distance) P-C4' energy: -41.196
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -194.060621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.060621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.060621 (E_RNA)
where:
Base-Base interactions energy: -63.329
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.849
local terms energy: -129.883218
where:
bonds (distance) C4'-P energy: -39.013
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -31.684
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -673.481407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.481407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.481407 (E_RNA)
where:
Base-Base interactions energy: -471.490
where: short stacking energy: -195.857
Base-Backbone interact. energy: -0.384
local terms energy: -201.607361
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -41.972
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -38.496
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: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -653.616227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.616227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.616227 (E_RNA)
where:
Base-Base interactions energy: -428.577
where: short stacking energy: -192.008
Base-Backbone interact. energy: 1.420
local terms energy: -226.459726
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -45.397
flat angles C4'-P-C4' energy: -41.780
flat angles P-C4'-P energy: -35.758
tors. eta vs tors. theta energy: -49.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -590.884601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.884601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.884601 (E_RNA)
where:
Base-Base interactions energy: -370.220
where: short stacking energy: -207.276
Base-Backbone interact. energy: -0.740
local terms energy: -219.924363
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -26.565
tors. eta vs tors. theta energy: -54.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -592.146988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.146988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.146988 (E_RNA)
where:
Base-Base interactions energy: -395.402
where: short stacking energy: -178.584
Base-Backbone interact. energy: 2.320
local terms energy: -199.064955
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -42.369
flat angles P-C4'-P energy: -28.105
tors. eta vs tors. theta energy: -43.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -519.502428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.502428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.502428 (E_RNA)
where:
Base-Base interactions energy: -330.349
where: short stacking energy: -150.996
Base-Backbone interact. energy: -2.656
local terms energy: -186.497931
where:
bonds (distance) C4'-P energy: -40.493
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -36.642
flat angles P-C4'-P energy: -23.474
tors. eta vs tors. theta energy: -36.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -542.887637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.887637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.887637 (E_RNA)
where:
Base-Base interactions energy: -346.474
where: short stacking energy: -164.829
Base-Backbone interact. energy: 0.246
local terms energy: -196.658769
where:
bonds (distance) C4'-P energy: -45.510
bonds (distance) P-C4' energy: -48.019
flat angles C4'-P-C4' energy: -39.876
flat angles P-C4'-P energy: -26.180
tors. eta vs tors. theta energy: -37.075
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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -398.537396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.537396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.537396 (E_RNA)
where:
Base-Base interactions energy: -233.930
where: short stacking energy: -116.423
Base-Backbone interact. energy: 0.632
local terms energy: -165.239919
where:
bonds (distance) C4'-P energy: -39.157
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -21.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -258.876109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.876109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.876109 (E_RNA)
where:
Base-Base interactions energy: -117.238
where: short stacking energy: -86.160
Base-Backbone interact. energy: 0.207
local terms energy: -141.845850
where:
bonds (distance) C4'-P energy: -35.073
bonds (distance) P-C4' energy: -42.289
flat angles C4'-P-C4' energy: -42.538
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -215.723020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.723020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.723020 (E_RNA)
where:
Base-Base interactions energy: -78.298
where: short stacking energy: -66.838
Base-Backbone interact. energy: 0.729
local terms energy: -138.153729
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -43.728
flat angles C4'-P-C4' energy: -37.113
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: 7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -196.525992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.525992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.525992 (E_RNA)
where:
Base-Base interactions energy: -64.244
where: short stacking energy: -54.066
Base-Backbone interact. energy: 0.786
local terms energy: -133.067564
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -47.033
flat angles C4'-P-C4' energy: -36.591
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: 15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -677.515985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.515985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.515985 (E_RNA)
where:
Base-Base interactions energy: -463.379
where: short stacking energy: -198.860
Base-Backbone interact. energy: -1.412
local terms energy: -212.724811
where:
bonds (distance) C4'-P energy: -43.531
bonds (distance) P-C4' energy: -50.666
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -39.427
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: 34
Temperature: 0.950000
Total energy: -656.052815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.052815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.052815 (E_RNA)
where:
Base-Base interactions energy: -424.527
where: short stacking energy: -186.524
Base-Backbone interact. energy: -1.387
local terms energy: -230.139138
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -32.138
tors. eta vs tors. theta energy: -45.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -675.900112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.900112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.900112 (E_RNA)
where:
Base-Base interactions energy: -449.753
where: short stacking energy: -201.819
Base-Backbone interact. energy: -1.128
local terms energy: -225.019160
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -47.241
flat angles P-C4'-P energy: -32.886
tors. eta vs tors. theta energy: -52.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -563.919279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.919279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.919279 (E_RNA)
where:
Base-Base interactions energy: -341.088
where: short stacking energy: -176.760
Base-Backbone interact. energy: -2.362
local terms energy: -220.469735
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -43.264
flat angles C4'-P-C4' energy: -49.291
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: -51.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -548.727678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.727678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.727678 (E_RNA)
where:
Base-Base interactions energy: -347.695
where: short stacking energy: -145.272
Base-Backbone interact. energy: -1.633
local terms energy: -199.399700
where:
bonds (distance) C4'-P energy: -43.089
bonds (distance) P-C4' energy: -46.183
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -31.824
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: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -571.577321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.577321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.577321 (E_RNA)
where:
Base-Base interactions energy: -368.240
where: short stacking energy: -175.303
Base-Backbone interact. energy: 0.823
local terms energy: -204.160602
where:
bonds (distance) C4'-P energy: -41.021
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -49.623
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: -47.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -435.793895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.793895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.793895 (E_RNA)
where:
Base-Base interactions energy: -269.919
where: short stacking energy: -129.561
Base-Backbone interact. energy: -1.022
local terms energy: -164.853716
where:
bonds (distance) C4'-P energy: -37.955
bonds (distance) P-C4' energy: -44.134
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -23.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -295.194135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.194135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.194135 (E_RNA)
where:
Base-Base interactions energy: -148.596
where: short stacking energy: -88.370
Base-Backbone interact. energy: -0.969
local terms energy: -145.628953
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -228.225890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.225890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.225890 (E_RNA)
where:
Base-Base interactions energy: -68.737
where: short stacking energy: -68.957
Base-Backbone interact. energy: -1.418
local terms energy: -158.070586
where:
bonds (distance) C4'-P energy: -48.824
bonds (distance) P-C4' energy: -47.847
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -26.821
tors. eta vs tors. theta energy: 1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -192.451066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.451066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.451066 (E_RNA)
where:
Base-Base interactions energy: -68.015
where: short stacking energy: -59.571
Base-Backbone interact. energy: -0.522
local terms energy: -123.913548
where:
bonds (distance) C4'-P energy: -44.284
bonds (distance) P-C4' energy: -32.141
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: 13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -652.799386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.799386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.799386 (E_RNA)
where:
Base-Base interactions energy: -456.396
where: short stacking energy: -192.824
Base-Backbone interact. energy: -1.254
local terms energy: -195.149972
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -44.620
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: -36.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -694.454914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.454914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.454914 (E_RNA)
where:
Base-Base interactions energy: -478.020
where: short stacking energy: -197.868
Base-Backbone interact. energy: -0.846
local terms energy: -215.588581
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -42.041
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -32.668
tors. eta vs tors. theta energy: -52.143
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: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -635.106617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.106617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.106617 (E_RNA)
where:
Base-Base interactions energy: -417.298
where: short stacking energy: -197.059
Base-Backbone interact. energy: 1.751
local terms energy: -219.558781
where:
bonds (distance) C4'-P energy: -53.537
bonds (distance) P-C4' energy: -40.967
flat angles C4'-P-C4' energy: -43.110
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: -51.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -561.261481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.261481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.261481 (E_RNA)
where:
Base-Base interactions energy: -367.872
where: short stacking energy: -150.976
Base-Backbone interact. energy: 0.222
local terms energy: -193.612201
where:
bonds (distance) C4'-P energy: -34.982
bonds (distance) P-C4' energy: -43.631
flat angles C4'-P-C4' energy: -44.655
flat angles P-C4'-P energy: -36.868
tors. eta vs tors. theta energy: -33.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -563.808913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.808913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.808913 (E_RNA)
where:
Base-Base interactions energy: -356.942
where: short stacking energy: -165.142
Base-Backbone interact. energy: -1.828
local terms energy: -205.038123
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -48.607
flat angles P-C4'-P energy: -31.550
tors. eta vs tors. theta energy: -36.441
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: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -594.999194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.999194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.999194 (E_RNA)
where:
Base-Base interactions energy: -379.429
where: short stacking energy: -184.388
Base-Backbone interact. energy: -0.225
local terms energy: -215.344683
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -41.923
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -34.439
tors. eta vs tors. theta energy: -41.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -435.236155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.236155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.236155 (E_RNA)
where:
Base-Base interactions energy: -265.625
where: short stacking energy: -131.703
Base-Backbone interact. energy: 0.899
local terms energy: -170.509525
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -48.538
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -28.717
tors. eta vs tors. theta energy: -20.252
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: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -305.371704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.371704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.371704 (E_RNA)
where:
Base-Base interactions energy: -155.285
where: short stacking energy: -104.229
Base-Backbone interact. energy: -0.969
local terms energy: -149.117508
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -34.040
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -16.299
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: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -223.414817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.414817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.414817 (E_RNA)
where:
Base-Base interactions energy: -81.838
where: short stacking energy: -81.411
Base-Backbone interact. energy: -0.569
local terms energy: -141.007761
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -37.741
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -9.413
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: 35
Temperature: 1.350000
Total energy: -209.854259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.854259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.854259 (E_RNA)
where:
Base-Base interactions energy: -67.870
where: short stacking energy: -65.314
Base-Backbone interact. energy: 1.486
local terms energy: -143.470804
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -41.539
flat angles C4'-P-C4' energy: -40.694
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -730.277456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.277456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.277456 (E_RNA)
where:
Base-Base interactions energy: -509.289
where: short stacking energy: -212.567
Base-Backbone interact. energy: -1.583
local terms energy: -219.406139
where:
bonds (distance) C4'-P energy: -46.948
bonds (distance) P-C4' energy: -44.968
flat angles C4'-P-C4' energy: -45.377
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -49.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -641.779231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.779231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.779231 (E_RNA)
where:
Base-Base interactions energy: -452.279
where: short stacking energy: -195.277
Base-Backbone interact. energy: -2.178
local terms energy: -187.322448
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -43.144
flat angles C4'-P-C4' energy: -40.267
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -38.999
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -626.854568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.854568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.854568 (E_RNA)
where:
Base-Base interactions energy: -416.423
where: short stacking energy: -193.642
Base-Backbone interact. energy: 1.204
local terms energy: -211.635895
where:
bonds (distance) C4'-P energy: -35.937
bonds (distance) P-C4' energy: -46.426
flat angles C4'-P-C4' energy: -48.563
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -51.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -604.724095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.724095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.724095 (E_RNA)
where:
Base-Base interactions energy: -405.181
where: short stacking energy: -195.574
Base-Backbone interact. energy: -1.874
local terms energy: -197.669547
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -43.441
flat angles C4'-P-C4' energy: -41.714
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -43.315
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: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -550.836491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.836491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.836491 (E_RNA)
where:
Base-Base interactions energy: -347.377
where: short stacking energy: -169.798
Base-Backbone interact. energy: -0.283
local terms energy: -203.176561
where:
bonds (distance) C4'-P energy: -38.899
bonds (distance) P-C4' energy: -39.574
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: -43.269
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: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -575.331114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.331114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.331114 (E_RNA)
where:
Base-Base interactions energy: -391.999
where: short stacking energy: -170.422
Base-Backbone interact. energy: -0.587
local terms energy: -182.744835
where:
bonds (distance) C4'-P energy: -34.179
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -38.124
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -43.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -443.782783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.782783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.782783 (E_RNA)
where:
Base-Base interactions energy: -257.614
where: short stacking energy: -128.295
Base-Backbone interact. energy: -0.522
local terms energy: -185.646777
where:
bonds (distance) C4'-P energy: -40.006
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -39.423
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: -27.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -329.757545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.757545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.757545 (E_RNA)
where:
Base-Base interactions energy: -181.554
where: short stacking energy: -111.068
Base-Backbone interact. energy: -0.835
local terms energy: -147.368696
where:
bonds (distance) C4'-P energy: -37.428
bonds (distance) P-C4' energy: -34.736
flat angles C4'-P-C4' energy: -41.948
flat angles P-C4'-P energy: -22.366
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -219.829500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.829500 (E_RNA)
where:
Base-Base interactions energy: -81.472
where: short stacking energy: -77.638
Base-Backbone interact. energy: -0.054
local terms energy: -138.303128
where:
bonds (distance) C4'-P energy: -37.200
bonds (distance) P-C4' energy: -48.367
flat angles C4'-P-C4' energy: -32.201
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -8.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -200.510986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.510986 (E_RNA)
where:
Base-Base interactions energy: -71.381
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.244
local terms energy: -128.885548
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -44.504
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: 1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -725.651715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.651715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.651715 (E_RNA)
where:
Base-Base interactions energy: -482.868
where: short stacking energy: -200.409
Base-Backbone interact. energy: -2.846
local terms energy: -239.937742
where:
bonds (distance) C4'-P energy: -44.909
bonds (distance) P-C4' energy: -47.375
flat angles C4'-P-C4' energy: -52.143
flat angles P-C4'-P energy: -42.763
tors. eta vs tors. theta energy: -52.748
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: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -631.087298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.087298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.087298 (E_RNA)
where:
Base-Base interactions energy: -437.967
where: short stacking energy: -181.658
Base-Backbone interact. energy: -0.391
local terms energy: -192.729450
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -46.824
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -36.832
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: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -627.625722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.625722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.625722 (E_RNA)
where:
Base-Base interactions energy: -414.430
where: short stacking energy: -178.967
Base-Backbone interact. energy: -0.590
local terms energy: -212.606041
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -49.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -624.521302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.521302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.521302 (E_RNA)
where:
Base-Base interactions energy: -418.442
where: short stacking energy: -189.499
Base-Backbone interact. energy: 3.010
local terms energy: -209.088905
where:
bonds (distance) C4'-P energy: -40.895
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -48.620
flat angles P-C4'-P energy: -31.762
tors. eta vs tors. theta energy: -49.229
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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -537.816846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.816846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.816846 (E_RNA)
where:
Base-Base interactions energy: -352.437
where: short stacking energy: -175.880
Base-Backbone interact. energy: -0.573
local terms energy: -184.806711
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -37.396
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -41.519
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: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -562.699572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.699572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.699572 (E_RNA)
where:
Base-Base interactions energy: -375.429
where: short stacking energy: -172.748
Base-Backbone interact. energy: -1.083
local terms energy: -186.187750
where:
bonds (distance) C4'-P energy: -39.531
bonds (distance) P-C4' energy: -44.017
flat angles C4'-P-C4' energy: -42.487
flat angles P-C4'-P energy: -22.983
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: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -418.153169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.153169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.153169 (E_RNA)
where:
Base-Base interactions energy: -233.213
where: short stacking energy: -110.657
Base-Backbone interact. energy: -1.576
local terms energy: -183.363909
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -48.965
flat angles C4'-P-C4' energy: -46.753
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -375.191955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.191955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.191955 (E_RNA)
where:
Base-Base interactions energy: -214.136
where: short stacking energy: -94.029
Base-Backbone interact. energy: -1.082
local terms energy: -159.974380
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -47.480
flat angles C4'-P-C4' energy: -36.077
flat angles P-C4'-P energy: -27.082
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -217.906771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.906771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.906771 (E_RNA)
where:
Base-Base interactions energy: -80.873
where: short stacking energy: -75.703
Base-Backbone interact. energy: -1.313
local terms energy: -135.720472
where:
bonds (distance) C4'-P energy: -41.739
bonds (distance) P-C4' energy: -30.787
flat angles C4'-P-C4' energy: -33.738
flat angles P-C4'-P energy: -25.718
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -189.310493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.310493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.310493 (E_RNA)
where:
Base-Base interactions energy: -62.330
where: short stacking energy: -58.603
Base-Backbone interact. energy: -0.095
local terms energy: -126.884776
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -41.462
flat angles C4'-P-C4' energy: -39.530
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -744.207514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.207514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.207514 (E_RNA)
where:
Base-Base interactions energy: -522.254
where: short stacking energy: -213.170
Base-Backbone interact. energy: -1.195
local terms energy: -220.758152
where:
bonds (distance) C4'-P energy: -27.098
bonds (distance) P-C4' energy: -47.664
flat angles C4'-P-C4' energy: -54.579
flat angles P-C4'-P energy: -42.778
tors. eta vs tors. theta energy: -48.640
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: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -606.625047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.625047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.625047 (E_RNA)
where:
Base-Base interactions energy: -398.915
where: short stacking energy: -176.859
Base-Backbone interact. energy: 2.767
local terms energy: -210.477133
where:
bonds (distance) C4'-P energy: -50.057
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -41.171
flat angles P-C4'-P energy: -31.594
tors. eta vs tors. theta energy: -41.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -647.968719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.968719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.968719 (E_RNA)
where:
Base-Base interactions energy: -433.444
where: short stacking energy: -190.471
Base-Backbone interact. energy: 3.282
local terms energy: -217.807099
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -56.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -614.755817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.755817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.755817 (E_RNA)
where:
Base-Base interactions energy: -395.641
where: short stacking energy: -181.188
Base-Backbone interact. energy: -1.747
local terms energy: -217.368614
where:
bonds (distance) C4'-P energy: -45.803
bonds (distance) P-C4' energy: -51.635
flat angles C4'-P-C4' energy: -45.415
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -42.098
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: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -598.891681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.891681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.891681 (E_RNA)
where:
Base-Base interactions energy: -413.535
where: short stacking energy: -182.726
Base-Backbone interact. energy: -0.807
local terms energy: -184.550300
where:
bonds (distance) C4'-P energy: -42.491
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -27.091
tors. eta vs tors. theta energy: -47.233
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: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -528.764650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.764650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.764650 (E_RNA)
where:
Base-Base interactions energy: -327.013
where: short stacking energy: -171.676
Base-Backbone interact. energy: -0.697
local terms energy: -201.055474
where:
bonds (distance) C4'-P energy: -33.139
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -50.847
flat angles P-C4'-P energy: -35.266
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: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -424.492913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.492913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.492913 (E_RNA)
where:
Base-Base interactions energy: -259.539
where: short stacking energy: -117.841
Base-Backbone interact. energy: -0.588
local terms energy: -164.365290
where:
bonds (distance) C4'-P energy: -37.590
bonds (distance) P-C4' energy: -46.231
flat angles C4'-P-C4' energy: -38.975
flat angles P-C4'-P energy: -25.441
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: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -359.104947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.104947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.104947 (E_RNA)
where:
Base-Base interactions energy: -193.779
where: short stacking energy: -85.441
Base-Backbone interact. energy: 0.340
local terms energy: -165.666692
where:
bonds (distance) C4'-P energy: -49.752
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -34.106
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -15.745
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: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -271.004471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.004471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.004471 (E_RNA)
where:
Base-Base interactions energy: -134.431
where: short stacking energy: -82.659
Base-Backbone interact. energy: -0.840
local terms energy: -135.733528
where:
bonds (distance) C4'-P energy: -38.579
bonds (distance) P-C4' energy: -39.517
flat angles C4'-P-C4' energy: -26.779
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -202.390280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.390280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.390280 (E_RNA)
where:
Base-Base interactions energy: -90.767
where: short stacking energy: -69.841
Base-Backbone interact. energy: 0.999
local terms energy: -112.621711
where:
bonds (distance) C4'-P energy: -28.078
bonds (distance) P-C4' energy: -39.398
flat angles C4'-P-C4' energy: -42.034
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: 7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -753.106770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.106770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.106770 (E_RNA)
where:
Base-Base interactions energy: -532.484
where: short stacking energy: -226.095
Base-Backbone interact. energy: -1.857
local terms energy: -218.765244
where:
bonds (distance) C4'-P energy: -31.237
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -55.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -677.254083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.254083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.254083 (E_RNA)
where:
Base-Base interactions energy: -444.521
where: short stacking energy: -221.432
Base-Backbone interact. energy: -2.435
local terms energy: -230.297985
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -48.858
flat angles C4'-P-C4' energy: -47.897
flat angles P-C4'-P energy: -30.649
tors. eta vs tors. theta energy: -52.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -610.133488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.133488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.133488 (E_RNA)
where:
Base-Base interactions energy: -425.866
where: short stacking energy: -170.666
Base-Backbone interact. energy: 0.118
local terms energy: -184.384849
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -50.415
flat angles C4'-P-C4' energy: -47.921
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -33.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -625.148026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.148026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.148026 (E_RNA)
where:
Base-Base interactions energy: -413.562
where: short stacking energy: -180.441
Base-Backbone interact. energy: -1.537
local terms energy: -210.048836
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -47.497
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -34.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -554.251353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.251353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.251353 (E_RNA)
where:
Base-Base interactions energy: -365.872
where: short stacking energy: -160.430
Base-Backbone interact. energy: -1.133
local terms energy: -187.246658
where:
bonds (distance) C4'-P energy: -38.632
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -32.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -515.051395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.051395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.051395 (E_RNA)
where:
Base-Base interactions energy: -323.304
where: short stacking energy: -148.927
Base-Backbone interact. energy: -0.477
local terms energy: -191.270431
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -52.070
flat angles C4'-P-C4' energy: -46.595
flat angles P-C4'-P energy: -29.737
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -426.294224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.294224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.294224 (E_RNA)
where:
Base-Base interactions energy: -245.733
where: short stacking energy: -123.143
Base-Backbone interact. energy: -0.531
local terms energy: -180.030052
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -41.313
flat angles C4'-P-C4' energy: -40.582
flat angles P-C4'-P energy: -29.408
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: 8, replica: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -351.275907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.275907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.275907 (E_RNA)
where:
Base-Base interactions energy: -198.494
where: short stacking energy: -107.015
Base-Backbone interact. energy: -1.086
local terms energy: -151.695893
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -36.802
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -13.138
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -206.489228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.489228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.489228 (E_RNA)
where:
Base-Base interactions energy: -71.933
where: short stacking energy: -66.730
Base-Backbone interact. energy: -0.446
local terms energy: -134.109781
where:
bonds (distance) C4'-P energy: -32.894
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -35.579
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -194.022383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.022383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.022383 (E_RNA)
where:
Base-Base interactions energy: -74.243
where: short stacking energy: -51.945
Base-Backbone interact. energy: 0.893
local terms energy: -120.672508
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -42.950
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: 5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -774.855875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.855875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.855875 (E_RNA)
where:
Base-Base interactions energy: -540.353
where: short stacking energy: -229.756
Base-Backbone interact. energy: 0.246
local terms energy: -234.748960
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -48.542
flat angles C4'-P-C4' energy: -52.573
flat angles P-C4'-P energy: -38.020
tors. eta vs tors. theta energy: -58.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -655.703372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.703372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.703372 (E_RNA)
where:
Base-Base interactions energy: -441.183
where: short stacking energy: -183.219
Base-Backbone interact. energy: -0.302
local terms energy: -214.217598
where:
bonds (distance) C4'-P energy: -45.296
bonds (distance) P-C4' energy: -46.429
flat angles C4'-P-C4' energy: -44.075
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -47.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -641.989921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.989921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.989921 (E_RNA)
where:
Base-Base interactions energy: -408.605
where: short stacking energy: -213.803
Base-Backbone interact. energy: -0.066
local terms energy: -233.318146
where:
bonds (distance) C4'-P energy: -44.680
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -52.918
flat angles P-C4'-P energy: -34.639
tors. eta vs tors. theta energy: -57.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -577.820103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.820103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.820103 (E_RNA)
where:
Base-Base interactions energy: -366.631
where: short stacking energy: -173.049
Base-Backbone interact. energy: -1.168
local terms energy: -210.020947
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -52.229
flat angles P-C4'-P energy: -30.399
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: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -542.953316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.953316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.953316 (E_RNA)
where:
Base-Base interactions energy: -346.326
where: short stacking energy: -152.843
Base-Backbone interact. energy: -1.176
local terms energy: -195.450784
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -43.514
flat angles P-C4'-P energy: -30.579
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -513.986073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.986073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.986073 (E_RNA)
where:
Base-Base interactions energy: -327.384
where: short stacking energy: -153.759
Base-Backbone interact. energy: -0.004
local terms energy: -186.597931
where:
bonds (distance) C4'-P energy: -37.699
bonds (distance) P-C4' energy: -41.867
flat angles C4'-P-C4' energy: -50.987
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -30.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -448.668439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.668439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.668439 (E_RNA)
where:
Base-Base interactions energy: -279.994
where: short stacking energy: -137.271
Base-Backbone interact. energy: -0.576
local terms energy: -168.098534
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -38.206
flat angles C4'-P-C4' energy: -38.206
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -30.102
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: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -358.706252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.706252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.706252 (E_RNA)
where:
Base-Base interactions energy: -207.103
where: short stacking energy: -99.948
Base-Backbone interact. energy: -1.888
local terms energy: -149.715589
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -209.095694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.095694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.095694 (E_RNA)
where:
Base-Base interactions energy: -99.916
where: short stacking energy: -73.318
Base-Backbone interact. energy: -1.174
local terms energy: -108.005197
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -37.504
flat angles C4'-P-C4' energy: -31.531
flat angles P-C4'-P energy: -21.529
tors. eta vs tors. theta energy: 6.455
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: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -219.808314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.808314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.808314 (E_RNA)
where:
Base-Base interactions energy: -77.455
where: short stacking energy: -75.273
Base-Backbone interact. energy: -0.480
local terms energy: -141.873378
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -46.045
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: 0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -758.478670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.478670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.478670 (E_RNA)
where:
Base-Base interactions energy: -516.896
where: short stacking energy: -221.845
Base-Backbone interact. energy: -0.961
local terms energy: -240.621474
where:
bonds (distance) C4'-P energy: -47.458
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -52.256
flat angles P-C4'-P energy: -36.676
tors. eta vs tors. theta energy: -56.435
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: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -661.347701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.347701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.347701 (E_RNA)
where:
Base-Base interactions energy: -413.879
where: short stacking energy: -219.671
Base-Backbone interact. energy: -0.283
local terms energy: -247.185654
where:
bonds (distance) C4'-P energy: -49.396
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -53.450
flat angles P-C4'-P energy: -35.461
tors. eta vs tors. theta energy: -65.047
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: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -649.615213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.615213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.615213 (E_RNA)
where:
Base-Base interactions energy: -456.352
where: short stacking energy: -184.885
Base-Backbone interact. energy: -0.194
local terms energy: -193.068997
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -47.672
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -43.792
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: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -592.483698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.483698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.483698 (E_RNA)
where:
Base-Base interactions energy: -382.571
where: short stacking energy: -168.696
Base-Backbone interact. energy: -0.799
local terms energy: -209.113453
where:
bonds (distance) C4'-P energy: -43.216
bonds (distance) P-C4' energy: -50.592
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -38.906
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -505.127322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.127322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.127322 (E_RNA)
where:
Base-Base interactions energy: -311.634
where: short stacking energy: -157.555
Base-Backbone interact. energy: -0.250
local terms energy: -193.243813
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -41.637
flat angles C4'-P-C4' energy: -39.457
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: -34.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -507.187892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.187892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.187892 (E_RNA)
where:
Base-Base interactions energy: -321.995
where: short stacking energy: -171.115
Base-Backbone interact. energy: 1.489
local terms energy: -186.681270
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -35.345
flat angles C4'-P-C4' energy: -36.029
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -45.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -436.213296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.213296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.213296 (E_RNA)
where:
Base-Base interactions energy: -271.635
where: short stacking energy: -132.387
Base-Backbone interact. energy: -1.053
local terms energy: -163.524797
where:
bonds (distance) C4'-P energy: -40.198
bonds (distance) P-C4' energy: -38.398
flat angles C4'-P-C4' energy: -38.932
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -367.093645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.093645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.093645 (E_RNA)
where:
Base-Base interactions energy: -222.621
where: short stacking energy: -130.249
Base-Backbone interact. energy: -0.921
local terms energy: -143.551782
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -22.372
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: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -207.296489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.296489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.296489 (E_RNA)
where:
Base-Base interactions energy: -71.449
where: short stacking energy: -64.853
Base-Backbone interact. energy: 1.356
local terms energy: -137.203192
where:
bonds (distance) C4'-P energy: -41.593
bonds (distance) P-C4' energy: -43.697
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -235.384511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.384511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.384511 (E_RNA)
where:
Base-Base interactions energy: -97.730
where: short stacking energy: -71.557
Base-Backbone interact. energy: 0.128
local terms energy: -137.782660
where:
bonds (distance) C4'-P energy: -41.359
bonds (distance) P-C4' energy: -38.829
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -762.919327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.919327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.919327 (E_RNA)
where:
Base-Base interactions energy: -528.588
where: short stacking energy: -231.216
Base-Backbone interact. energy: -1.283
local terms energy: -233.048791
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -49.723
flat angles C4'-P-C4' energy: -50.134
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -60.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -675.049149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.049149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.049149 (E_RNA)
where:
Base-Base interactions energy: -429.094
where: short stacking energy: -221.179
Base-Backbone interact. energy: -0.923
local terms energy: -245.031544
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -49.871
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -59.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -638.337703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.337703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.337703 (E_RNA)
where:
Base-Base interactions energy: -435.290
where: short stacking energy: -184.250
Base-Backbone interact. energy: 0.975
local terms energy: -204.023010
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -41.227
flat angles C4'-P-C4' energy: -46.041
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: -44.429
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: 42
Temperature: 1.050000
Total energy: -519.930939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.930939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.930939 (E_RNA)
where:
Base-Base interactions energy: -329.485
where: short stacking energy: -167.691
Base-Backbone interact. energy: -2.491
local terms energy: -187.955307
where:
bonds (distance) C4'-P energy: -39.260
bonds (distance) P-C4' energy: -39.978
flat angles C4'-P-C4' energy: -48.685
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -34.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -519.869331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.869331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.869331 (E_RNA)
where:
Base-Base interactions energy: -317.327
where: short stacking energy: -162.818
Base-Backbone interact. energy: 3.625
local terms energy: -206.166678
where:
bonds (distance) C4'-P energy: -44.897
bonds (distance) P-C4' energy: -44.638
flat angles C4'-P-C4' energy: -46.090
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -40.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -494.214340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.214340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.214340 (E_RNA)
where:
Base-Base interactions energy: -300.602
where: short stacking energy: -153.851
Base-Backbone interact. energy: -0.819
local terms energy: -192.793535
where:
bonds (distance) C4'-P energy: -46.669
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -43.207
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: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -436.489200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.489200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.489200 (E_RNA)
where:
Base-Base interactions energy: -270.560
where: short stacking energy: -129.018
Base-Backbone interact. energy: 1.039
local terms energy: -166.968061
where:
bonds (distance) C4'-P energy: -30.072
bonds (distance) P-C4' energy: -41.314
flat angles C4'-P-C4' energy: -37.824
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -28.841
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: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -363.176583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.176583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.176583 (E_RNA)
where:
Base-Base interactions energy: -206.095
where: short stacking energy: -107.707
Base-Backbone interact. energy: -0.358
local terms energy: -156.723106
where:
bonds (distance) C4'-P energy: -38.418
bonds (distance) P-C4' energy: -37.391
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -231.081605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.081605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.081605 (E_RNA)
where:
Base-Base interactions energy: -77.118
where: short stacking energy: -68.184
Base-Backbone interact. energy: -1.122
local terms energy: -152.841110
where:
bonds (distance) C4'-P energy: -40.190
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -211.339616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.339616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.339616 (E_RNA)
where:
Base-Base interactions energy: -86.057
where: short stacking energy: -58.822
Base-Backbone interact. energy: 0.553
local terms energy: -125.835657
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -44.361
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -767.440575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.440575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.440575 (E_RNA)
where:
Base-Base interactions energy: -525.128
where: short stacking energy: -206.974
Base-Backbone interact. energy: -1.419
local terms energy: -240.894001
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -52.870
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -38.021
tors. eta vs tors. theta energy: -54.631
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: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -702.647402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.647402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.647402 (E_RNA)
where:
Base-Base interactions energy: -446.570
where: short stacking energy: -218.267
Base-Backbone interact. energy: -1.539
local terms energy: -254.537849
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -52.363
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -72.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -642.752681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.752681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.752681 (E_RNA)
where:
Base-Base interactions energy: -441.085
where: short stacking energy: -191.192
Base-Backbone interact. energy: -1.514
local terms energy: -200.152930
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -44.208
flat angles C4'-P-C4' energy: -46.485
flat angles P-C4'-P energy: -27.676
tors. eta vs tors. theta energy: -43.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -555.796568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.796568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.796568 (E_RNA)
where:
Base-Base interactions energy: -354.383
where: short stacking energy: -175.756
Base-Backbone interact. energy: 0.994
local terms energy: -202.406918
where:
bonds (distance) C4'-P energy: -43.308
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -46.554
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -44.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -528.261104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.261104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.261104 (E_RNA)
where:
Base-Base interactions energy: -338.152
where: short stacking energy: -164.540
Base-Backbone interact. energy: 0.277
local terms energy: -190.386015
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -37.301
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -32.790
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: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -520.215082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.215082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.215082 (E_RNA)
where:
Base-Base interactions energy: -321.314
where: short stacking energy: -162.173
Base-Backbone interact. energy: 0.552
local terms energy: -199.453005
where:
bonds (distance) C4'-P energy: -40.259
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -46.670
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -46.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -440.718162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.718162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.718162 (E_RNA)
where:
Base-Base interactions energy: -279.491
where: short stacking energy: -136.643
Base-Backbone interact. energy: 3.345
local terms energy: -164.572139
where:
bonds (distance) C4'-P energy: -37.029
bonds (distance) P-C4' energy: -40.759
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -29.949
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -401.013173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.013173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.013173 (E_RNA)
where:
Base-Base interactions energy: -239.206
where: short stacking energy: -121.371
Base-Backbone interact. energy: -0.995
local terms energy: -160.811687
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -40.122
flat angles C4'-P-C4' energy: -38.994
flat angles P-C4'-P energy: -28.293
tors. eta vs tors. theta energy: -25.128
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: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -213.300352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.300352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.300352 (E_RNA)
where:
Base-Base interactions energy: -82.504
where: short stacking energy: -63.777
Base-Backbone interact. energy: 0.066
local terms energy: -130.862358
where:
bonds (distance) C4'-P energy: -34.170
bonds (distance) P-C4' energy: -42.347
flat angles C4'-P-C4' energy: -40.435
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -3.392
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: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -203.460790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.460790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.460790 (E_RNA)
where:
Base-Base interactions energy: -78.652
where: short stacking energy: -61.981
Base-Backbone interact. energy: -0.294
local terms energy: -124.515308
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -39.985
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -7.858
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: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -770.193908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.193908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.193908 (E_RNA)
where:
Base-Base interactions energy: -536.765
where: short stacking energy: -215.882
Base-Backbone interact. energy: -0.710
local terms energy: -232.718918
where:
bonds (distance) C4'-P energy: -47.881
bonds (distance) P-C4' energy: -49.293
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -33.160
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -700.380835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.380835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.380835 (E_RNA)
where:
Base-Base interactions energy: -459.106
where: short stacking energy: -233.559
Base-Backbone interact. energy: -0.074
local terms energy: -241.200419
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -52.378
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -69.133
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -648.798390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.798390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.798390 (E_RNA)
where:
Base-Base interactions energy: -444.890
where: short stacking energy: -174.671
Base-Backbone interact. energy: -1.303
local terms energy: -202.605446
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -49.828
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -39.081
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: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -560.832345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.832345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.832345 (E_RNA)
where:
Base-Base interactions energy: -357.050
where: short stacking energy: -164.043
Base-Backbone interact. energy: -4.575
local terms energy: -199.207117
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -43.721
flat angles C4'-P-C4' energy: -42.165
flat angles P-C4'-P energy: -38.728
tors. eta vs tors. theta energy: -37.229
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: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -524.123857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.123857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.123857 (E_RNA)
where:
Base-Base interactions energy: -331.465
where: short stacking energy: -163.276
Base-Backbone interact. energy: -0.307
local terms energy: -192.351934
where:
bonds (distance) C4'-P energy: -41.280
bonds (distance) P-C4' energy: -37.340
flat angles C4'-P-C4' energy: -42.415
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -45.159
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: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -535.089735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.089735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.089735 (E_RNA)
where:
Base-Base interactions energy: -341.866
where: short stacking energy: -165.584
Base-Backbone interact. energy: -1.898
local terms energy: -191.325633
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -41.309
flat angles C4'-P-C4' energy: -50.695
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -40.173
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -457.039010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.039010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.039010 (E_RNA)
where:
Base-Base interactions energy: -278.708
where: short stacking energy: -139.371
Base-Backbone interact. energy: -0.395
local terms energy: -177.936024
where:
bonds (distance) C4'-P energy: -40.864
bonds (distance) P-C4' energy: -43.625
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -419.914540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.914540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.914540 (E_RNA)
where:
Base-Base interactions energy: -253.582
where: short stacking energy: -115.695
Base-Backbone interact. energy: -0.903
local terms energy: -165.428996
where:
bonds (distance) C4'-P energy: -39.429
bonds (distance) P-C4' energy: -32.898
flat angles C4'-P-C4' energy: -38.630
flat angles P-C4'-P energy: -28.450
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -224.631180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.631180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.631180 (E_RNA)
where:
Base-Base interactions energy: -88.400
where: short stacking energy: -83.351
Base-Backbone interact. energy: -0.149
local terms energy: -136.082378
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -48.414
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -187.905125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.905125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.905125 (E_RNA)
where:
Base-Base interactions energy: -59.530
where: short stacking energy: -55.283
Base-Backbone interact. energy: 2.100
local terms energy: -130.474865
where:
bonds (distance) C4'-P energy: -32.620
bonds (distance) P-C4' energy: -40.966
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: 3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -773.325245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.325245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.325245 (E_RNA)
where:
Base-Base interactions energy: -540.726
where: short stacking energy: -226.313
Base-Backbone interact. energy: -0.759
local terms energy: -231.840663
where:
bonds (distance) C4'-P energy: -39.747
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -34.657
tors. eta vs tors. theta energy: -59.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -686.106625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.106625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.106625 (E_RNA)
where:
Base-Base interactions energy: -451.448
where: short stacking energy: -214.315
Base-Backbone interact. energy: -0.214
local terms energy: -234.445010
where:
bonds (distance) C4'-P energy: -46.896
bonds (distance) P-C4' energy: -46.700
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -57.110
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: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -635.879316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.879316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.879316 (E_RNA)
where:
Base-Base interactions energy: -437.772
where: short stacking energy: -161.300
Base-Backbone interact. energy: -1.513
local terms energy: -196.595049
where:
bonds (distance) C4'-P energy: -42.256
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -38.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -543.696770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.696770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.696770 (E_RNA)
where:
Base-Base interactions energy: -336.669
where: short stacking energy: -178.170
Base-Backbone interact. energy: -1.098
local terms energy: -205.929009
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -48.306
flat angles C4'-P-C4' energy: -39.637
flat angles P-C4'-P energy: -30.901
tors. eta vs tors. theta energy: -45.669
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: 45
Temperature: 1.100000
Total energy: -539.380472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.380472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.380472 (E_RNA)
where:
Base-Base interactions energy: -348.072
where: short stacking energy: -164.238
Base-Backbone interact. energy: -0.252
local terms energy: -191.056143
where:
bonds (distance) C4'-P energy: -37.431
bonds (distance) P-C4' energy: -38.091
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -33.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -573.291544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.291544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.291544 (E_RNA)
where:
Base-Base interactions energy: -360.685
where: short stacking energy: -177.183
Base-Backbone interact. energy: 0.340
local terms energy: -212.946539
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -49.181
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -43.544
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -492.443608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.443608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.443608 (E_RNA)
where:
Base-Base interactions energy: -312.759
where: short stacking energy: -149.352
Base-Backbone interact. energy: -0.926
local terms energy: -178.759386
where:
bonds (distance) C4'-P energy: -34.354
bonds (distance) P-C4' energy: -38.040
flat angles C4'-P-C4' energy: -49.230
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -32.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -422.039277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.039277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.039277 (E_RNA)
where:
Base-Base interactions energy: -244.381
where: short stacking energy: -130.088
Base-Backbone interact. energy: -0.553
local terms energy: -177.105258
where:
bonds (distance) C4'-P energy: -42.254
bonds (distance) P-C4' energy: -34.203
flat angles C4'-P-C4' energy: -39.495
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -34.340
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: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -262.600706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.600706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.600706 (E_RNA)
where:
Base-Base interactions energy: -120.538
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.550
local terms energy: -141.512265
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -46.926
flat angles C4'-P-C4' energy: -32.203
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: 7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -196.091835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.091835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.091835 (E_RNA)
where:
Base-Base interactions energy: -58.929
where: short stacking energy: -56.300
Base-Backbone interact. energy: -2.374
local terms energy: -134.788992
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -36.763
flat angles P-C4'-P energy: -27.897
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -776.298129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.298129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.298129 (E_RNA)
where:
Base-Base interactions energy: -542.036
where: short stacking energy: -221.681
Base-Backbone interact. energy: -1.095
local terms energy: -233.167321
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -43.638
flat angles C4'-P-C4' energy: -54.737
flat angles P-C4'-P energy: -33.254
tors. eta vs tors. theta energy: -55.882
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: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -709.794540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.794540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.794540 (E_RNA)
where:
Base-Base interactions energy: -459.704
where: short stacking energy: -230.796
Base-Backbone interact. energy: -0.818
local terms energy: -249.272423
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -43.916
flat angles C4'-P-C4' energy: -55.968
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -61.172
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: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -610.399778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.399778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.399778 (E_RNA)
where:
Base-Base interactions energy: -410.647
where: short stacking energy: -170.702
Base-Backbone interact. energy: -2.728
local terms energy: -197.024874
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -50.838
flat angles C4'-P-C4' energy: -55.159
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: -35.317
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: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -558.287814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.287814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.287814 (E_RNA)
where:
Base-Base interactions energy: -352.387
where: short stacking energy: -172.332
Base-Backbone interact. energy: 0.773
local terms energy: -206.674045
where:
bonds (distance) C4'-P energy: -37.068
bonds (distance) P-C4' energy: -48.269
flat angles C4'-P-C4' energy: -48.307
flat angles P-C4'-P energy: -25.855
tors. eta vs tors. theta energy: -47.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -561.923976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.923976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.923976 (E_RNA)
where:
Base-Base interactions energy: -356.226
where: short stacking energy: -163.525
Base-Backbone interact. energy: 1.269
local terms energy: -206.967005
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -51.002
flat angles C4'-P-C4' energy: -44.658
flat angles P-C4'-P energy: -26.748
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: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -513.133139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.133139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.133139 (E_RNA)
where:
Base-Base interactions energy: -320.736
where: short stacking energy: -147.917
Base-Backbone interact. energy: 1.006
local terms energy: -193.402924
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -45.337
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -38.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -519.513395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.513395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.513395 (E_RNA)
where:
Base-Base interactions energy: -321.960
where: short stacking energy: -143.953
Base-Backbone interact. energy: -2.056
local terms energy: -195.497727
where:
bonds (distance) C4'-P energy: -40.940
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -25.386
tors. eta vs tors. theta energy: -36.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -330.454906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.454906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.454906 (E_RNA)
where:
Base-Base interactions energy: -170.619
where: short stacking energy: -105.447
Base-Backbone interact. energy: 2.194
local terms energy: -162.029510
where:
bonds (distance) C4'-P energy: -36.812
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -43.613
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -236.329085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.329085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.329085 (E_RNA)
where:
Base-Base interactions energy: -109.519
where: short stacking energy: -68.771
Base-Backbone interact. energy: -1.330
local terms energy: -125.479823
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -40.216
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -13.434
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: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -193.289844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.289844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.289844 (E_RNA)
where:
Base-Base interactions energy: -68.697
where: short stacking energy: -68.413
Base-Backbone interact. energy: 0.256
local terms energy: -124.849221
where:
bonds (distance) C4'-P energy: -33.600
bonds (distance) P-C4' energy: -38.472
flat angles C4'-P-C4' energy: -23.925
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -783.764452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.764452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.764452 (E_RNA)
where:
Base-Base interactions energy: -548.303
where: short stacking energy: -236.174
Base-Backbone interact. energy: -0.865
local terms energy: -234.596846
where:
bonds (distance) C4'-P energy: -38.317
bonds (distance) P-C4' energy: -47.041
flat angles C4'-P-C4' energy: -54.317
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -58.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -712.573041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.573041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.573041 (E_RNA)
where:
Base-Base interactions energy: -470.828
where: short stacking energy: -232.192
Base-Backbone interact. energy: -0.188
local terms energy: -241.556987
where:
bonds (distance) C4'-P energy: -45.980
bonds (distance) P-C4' energy: -40.456
flat angles C4'-P-C4' energy: -53.008
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -62.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -596.219183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.219183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.219183 (E_RNA)
where:
Base-Base interactions energy: -383.101
where: short stacking energy: -177.457
Base-Backbone interact. energy: -2.569
local terms energy: -210.548422
where:
bonds (distance) C4'-P energy: -43.426
bonds (distance) P-C4' energy: -44.050
flat angles C4'-P-C4' energy: -47.442
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -46.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -595.657864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.657864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.657864 (E_RNA)
where:
Base-Base interactions energy: -386.834
where: short stacking energy: -179.292
Base-Backbone interact. energy: 0.459
local terms energy: -209.282996
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -42.430
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -42.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -517.869997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.869997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.869997 (E_RNA)
where:
Base-Base interactions energy: -321.318
where: short stacking energy: -159.856
Base-Backbone interact. energy: -1.410
local terms energy: -195.142214
where:
bonds (distance) C4'-P energy: -42.398
bonds (distance) P-C4' energy: -37.108
flat angles C4'-P-C4' energy: -40.445
flat angles P-C4'-P energy: -32.174
tors. eta vs tors. theta energy: -43.018
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: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -560.817445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.817445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.817445 (E_RNA)
where:
Base-Base interactions energy: -356.931
where: short stacking energy: -180.009
Base-Backbone interact. energy: -0.644
local terms energy: -203.242181
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -45.768
flat angles C4'-P-C4' energy: -41.780
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -49.743
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: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -434.362392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.362392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.362392 (E_RNA)
where:
Base-Base interactions energy: -275.511
where: short stacking energy: -132.288
Base-Backbone interact. energy: -1.119
local terms energy: -157.732755
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -43.388
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -21.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -340.467665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.467665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.467665 (E_RNA)
where:
Base-Base interactions energy: -175.449
where: short stacking energy: -98.892
Base-Backbone interact. energy: 0.413
local terms energy: -165.430948
where:
bonds (distance) C4'-P energy: -40.447
bonds (distance) P-C4' energy: -50.572
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -217.377547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.377547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.377547 (E_RNA)
where:
Base-Base interactions energy: -70.954
where: short stacking energy: -63.403
Base-Backbone interact. energy: -1.206
local terms energy: -145.217541
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -35.909
flat angles P-C4'-P energy: -24.168
tors. eta vs tors. theta energy: 3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -194.966615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.966615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.966615 (E_RNA)
where:
Base-Base interactions energy: -55.784
where: short stacking energy: -52.132
Base-Backbone interact. energy: 0.126
local terms energy: -139.308057
where:
bonds (distance) C4'-P energy: -43.326
bonds (distance) P-C4' energy: -38.471
flat angles C4'-P-C4' energy: -37.375
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: 4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -792.951768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.951768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.951768 (E_RNA)
where:
Base-Base interactions energy: -547.598
where: short stacking energy: -233.471
Base-Backbone interact. energy: -2.352
local terms energy: -243.002032
where:
bonds (distance) C4'-P energy: -42.214
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -48.320
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: -60.742
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: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -731.276857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.276857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.276857 (E_RNA)
where:
Base-Base interactions energy: -481.313
where: short stacking energy: -222.509
Base-Backbone interact. energy: -0.259
local terms energy: -249.704656
where:
bonds (distance) C4'-P energy: -41.810
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -53.058
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -66.803
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: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -617.605151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.605151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.605151 (E_RNA)
where:
Base-Base interactions energy: -402.368
where: short stacking energy: -179.755
Base-Backbone interact. energy: -0.300
local terms energy: -214.937375
where:
bonds (distance) C4'-P energy: -44.520
bonds (distance) P-C4' energy: -48.417
flat angles C4'-P-C4' energy: -53.703
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -574.017575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.017575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.017575 (E_RNA)
where:
Base-Base interactions energy: -386.692
where: short stacking energy: -160.658
Base-Backbone interact. energy: -0.837
local terms energy: -186.488749
where:
bonds (distance) C4'-P energy: -48.372
bonds (distance) P-C4' energy: -45.785
flat angles C4'-P-C4' energy: -38.223
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -25.058
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: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -500.312121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.312121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.312121 (E_RNA)
where:
Base-Base interactions energy: -302.792
where: short stacking energy: -146.600
Base-Backbone interact. energy: -0.403
local terms energy: -197.117066
where:
bonds (distance) C4'-P energy: -34.584
bonds (distance) P-C4' energy: -45.782
flat angles C4'-P-C4' energy: -52.033
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -34.252
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: 48
Temperature: 1.150000
Total energy: -562.920039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.920039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.920039 (E_RNA)
where:
Base-Base interactions energy: -377.174
where: short stacking energy: -160.656
Base-Backbone interact. energy: -0.543
local terms energy: -185.203057
where:
bonds (distance) C4'-P energy: -39.430
bonds (distance) P-C4' energy: -39.077
flat angles C4'-P-C4' energy: -39.819
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -50.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -432.497805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.497805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.497805 (E_RNA)
where:
Base-Base interactions energy: -263.531
where: short stacking energy: -139.013
Base-Backbone interact. energy: 2.075
local terms energy: -171.041435
where:
bonds (distance) C4'-P energy: -38.450
bonds (distance) P-C4' energy: -47.870
flat angles C4'-P-C4' energy: -38.922
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -324.873405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.873405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.873405 (E_RNA)
where:
Base-Base interactions energy: -164.768
where: short stacking energy: -108.126
Base-Backbone interact. energy: 1.453
local terms energy: -161.558337
where:
bonds (distance) C4'-P energy: -45.556
bonds (distance) P-C4' energy: -33.842
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -236.177250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.177250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.177250 (E_RNA)
where:
Base-Base interactions energy: -85.593
where: short stacking energy: -79.199
Base-Backbone interact. energy: -1.466
local terms energy: -149.117521
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -35.081
flat angles C4'-P-C4' energy: -34.843
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -202.693335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.693335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.693335 (E_RNA)
where:
Base-Base interactions energy: -77.333
where: short stacking energy: -78.121
Base-Backbone interact. energy: -0.624
local terms energy: -124.735966
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -42.243
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -770.286160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.286160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.286160 (E_RNA)
where:
Base-Base interactions energy: -533.717
where: short stacking energy: -224.217
Base-Backbone interact. energy: -2.074
local terms energy: -234.495083
where:
bonds (distance) C4'-P energy: -38.433
bonds (distance) P-C4' energy: -51.797
flat angles C4'-P-C4' energy: -48.274
flat angles P-C4'-P energy: -38.439
tors. eta vs tors. theta energy: -57.552
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: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -755.524930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.524930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.524930 (E_RNA)
where:
Base-Base interactions energy: -505.026
where: short stacking energy: -237.230
Base-Backbone interact. energy: -1.283
local terms energy: -249.215740
where:
bonds (distance) C4'-P energy: -38.592
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -55.533
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -70.954
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: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -636.760539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.760539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.760539 (E_RNA)
where:
Base-Base interactions energy: -424.723
where: short stacking energy: -180.647
Base-Backbone interact. energy: -1.674
local terms energy: -210.362690
where:
bonds (distance) C4'-P energy: -42.245
bonds (distance) P-C4' energy: -44.170
flat angles C4'-P-C4' energy: -46.421
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -44.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -598.529991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.529991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.529991 (E_RNA)
where:
Base-Base interactions energy: -382.527
where: short stacking energy: -171.553
Base-Backbone interact. energy: -1.087
local terms energy: -214.915838
where:
bonds (distance) C4'-P energy: -47.407
bonds (distance) P-C4' energy: -43.752
flat angles C4'-P-C4' energy: -51.279
flat angles P-C4'-P energy: -32.773
tors. eta vs tors. theta energy: -39.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -524.303307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.303307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.303307 (E_RNA)
where:
Base-Base interactions energy: -330.898
where: short stacking energy: -165.633
Base-Backbone interact. energy: -1.859
local terms energy: -191.546554
where:
bonds (distance) C4'-P energy: -40.723
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -46.704
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -34.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -561.699770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.699770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.699770 (E_RNA)
where:
Base-Base interactions energy: -358.422
where: short stacking energy: -174.411
Base-Backbone interact. energy: -0.730
local terms energy: -202.547905
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -39.213
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: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -455.228951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.228951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.228951 (E_RNA)
where:
Base-Base interactions energy: -266.487
where: short stacking energy: -121.394
Base-Backbone interact. energy: -1.639
local terms energy: -187.102541
where:
bonds (distance) C4'-P energy: -47.508
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -42.565
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -32.101
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: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -335.700191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.700191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.700191 (E_RNA)
where:
Base-Base interactions energy: -168.736
where: short stacking energy: -108.609
Base-Backbone interact. energy: -0.760
local terms energy: -166.203560
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -44.043
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -27.621
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: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -228.068002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.068002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.068002 (E_RNA)
where:
Base-Base interactions energy: -69.460
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.422
local terms energy: -158.185752
where:
bonds (distance) C4'-P energy: -49.738
bonds (distance) P-C4' energy: -41.422
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -1.955
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: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -211.984033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.984033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.984033 (E_RNA)
where:
Base-Base interactions energy: -75.562
where: short stacking energy: -68.593
Base-Backbone interact. energy: -1.019
local terms energy: -135.402821
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -43.436
flat angles C4'-P-C4' energy: -31.722
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -771.819993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.819993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.819993 (E_RNA)
where:
Base-Base interactions energy: -504.381
where: short stacking energy: -246.744
Base-Backbone interact. energy: 0.316
local terms energy: -267.754635
where:
bonds (distance) C4'-P energy: -46.757
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -74.528
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: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -752.985554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.985554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.985554 (E_RNA)
where:
Base-Base interactions energy: -528.154
where: short stacking energy: -223.922
Base-Backbone interact. energy: -1.375
local terms energy: -223.456015
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -47.656
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -56.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -622.964529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.964529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.964529 (E_RNA)
where:
Base-Base interactions energy: -410.466
where: short stacking energy: -174.682
Base-Backbone interact. energy: 0.331
local terms energy: -212.829817
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -41.992
flat angles C4'-P-C4' energy: -45.154
flat angles P-C4'-P energy: -36.396
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: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -651.115065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.115065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.115065 (E_RNA)
where:
Base-Base interactions energy: -452.035
where: short stacking energy: -185.643
Base-Backbone interact. energy: 0.034
local terms energy: -199.114070
where:
bonds (distance) C4'-P energy: -41.536
bonds (distance) P-C4' energy: -39.279
flat angles C4'-P-C4' energy: -44.776
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -46.256
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: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -577.128011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.128011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.128011 (E_RNA)
where:
Base-Base interactions energy: -366.316
where: short stacking energy: -177.097
Base-Backbone interact. energy: -1.695
local terms energy: -209.117204
where:
bonds (distance) C4'-P energy: -43.700
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -30.787
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: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -497.201583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.201583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.201583 (E_RNA)
where:
Base-Base interactions energy: -315.070
where: short stacking energy: -155.376
Base-Backbone interact. energy: 2.263
local terms energy: -184.394662
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -40.511
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -37.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -464.226671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.226671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.226671 (E_RNA)
where:
Base-Base interactions energy: -270.396
where: short stacking energy: -146.688
Base-Backbone interact. energy: -1.815
local terms energy: -192.016294
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -46.388
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -38.379
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -319.253545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.253545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.253545 (E_RNA)
where:
Base-Base interactions energy: -165.513
where: short stacking energy: -104.628
Base-Backbone interact. energy: -0.316
local terms energy: -153.424868
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -37.661
flat angles C4'-P-C4' energy: -34.211
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -26.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -212.830075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.830075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.830075 (E_RNA)
where:
Base-Base interactions energy: -77.244
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.232
local terms energy: -135.354027
where:
bonds (distance) C4'-P energy: -32.565
bonds (distance) P-C4' energy: -38.911
flat angles C4'-P-C4' energy: -39.502
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -207.696168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.696168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.696168 (E_RNA)
where:
Base-Base interactions energy: -78.175
where: short stacking energy: -67.204
Base-Backbone interact. energy: -0.718
local terms energy: -128.803655
where:
bonds (distance) C4'-P energy: -31.394
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: 1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -745.919066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.919066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.919066 (E_RNA)
where:
Base-Base interactions energy: -485.692
where: short stacking energy: -230.476
Base-Backbone interact. energy: -0.551
local terms energy: -259.675843
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -68.407
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: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -752.128708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.128708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.128708 (E_RNA)
where:
Base-Base interactions energy: -517.915
where: short stacking energy: -222.044
Base-Backbone interact. energy: -1.116
local terms energy: -233.097332
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -45.061
flat angles C4'-P-C4' energy: -46.175
flat angles P-C4'-P energy: -30.651
tors. eta vs tors. theta energy: -63.513
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: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -643.489634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.489634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.489634 (E_RNA)
where:
Base-Base interactions energy: -436.538
where: short stacking energy: -182.334
Base-Backbone interact. energy: -2.359
local terms energy: -204.593233
where:
bonds (distance) C4'-P energy: -48.161
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -52.757
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -45.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -652.101937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.101937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.101937 (E_RNA)
where:
Base-Base interactions energy: -441.439
where: short stacking energy: -186.169
Base-Backbone interact. energy: -4.166
local terms energy: -206.497194
where:
bonds (distance) C4'-P energy: -41.997
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -42.194
flat angles P-C4'-P energy: -29.655
tors. eta vs tors. theta energy: -46.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -601.622601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.622601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.622601 (E_RNA)
where:
Base-Base interactions energy: -379.086
where: short stacking energy: -183.647
Base-Backbone interact. energy: -0.523
local terms energy: -222.013770
where:
bonds (distance) C4'-P energy: -48.268
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -50.680
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -52.021
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: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -504.510733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.510733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.510733 (E_RNA)
where:
Base-Base interactions energy: -300.196
where: short stacking energy: -155.155
Base-Backbone interact. energy: -1.798
local terms energy: -202.516910
where:
bonds (distance) C4'-P energy: -39.960
bonds (distance) P-C4' energy: -50.869
flat angles C4'-P-C4' energy: -40.457
flat angles P-C4'-P energy: -31.425
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: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -480.470004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.470004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.470004 (E_RNA)
where:
Base-Base interactions energy: -307.534
where: short stacking energy: -141.953
Base-Backbone interact. energy: -0.469
local terms energy: -172.466733
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -40.760
flat angles C4'-P-C4' energy: -42.553
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -277.875286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.875286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.875286 (E_RNA)
where:
Base-Base interactions energy: -134.023
where: short stacking energy: -81.217
Base-Backbone interact. energy: 1.465
local terms energy: -145.317183
where:
bonds (distance) C4'-P energy: -39.870
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -29.683
flat angles P-C4'-P energy: -24.820
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: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -211.738553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.738553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.738553 (E_RNA)
where:
Base-Base interactions energy: -70.916
where: short stacking energy: -49.126
Base-Backbone interact. energy: 0.651
local terms energy: -141.472814
where:
bonds (distance) C4'-P energy: -46.371
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -35.080
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: 3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -204.157131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.157131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.157131 (E_RNA)
where:
Base-Base interactions energy: -78.925
where: short stacking energy: -56.442
Base-Backbone interact. energy: 0.161
local terms energy: -125.393621
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -37.077
flat angles P-C4'-P energy: -15.487
tors. eta vs tors. theta energy: 4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -776.886593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.886593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.886593 (E_RNA)
where:
Base-Base interactions energy: -536.262
where: short stacking energy: -220.256
Base-Backbone interact. energy: -0.438
local terms energy: -240.186675
where:
bonds (distance) C4'-P energy: -40.022
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -50.984
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -62.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -743.617651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.617651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.617651 (E_RNA)
where:
Base-Base interactions energy: -496.994
where: short stacking energy: -226.757
Base-Backbone interact. energy: -0.233
local terms energy: -246.390483
where:
bonds (distance) C4'-P energy: -42.283
bonds (distance) P-C4' energy: -50.124
flat angles C4'-P-C4' energy: -52.354
flat angles P-C4'-P energy: -39.984
tors. eta vs tors. theta energy: -61.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -641.104258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.104258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.104258 (E_RNA)
where:
Base-Base interactions energy: -428.069
where: short stacking energy: -193.543
Base-Backbone interact. energy: -1.030
local terms energy: -212.005423
where:
bonds (distance) C4'-P energy: -46.027
bonds (distance) P-C4' energy: -52.488
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -20.319
tors. eta vs tors. theta energy: -46.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -658.782676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.782676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.782676 (E_RNA)
where:
Base-Base interactions energy: -447.273
where: short stacking energy: -191.915
Base-Backbone interact. energy: -0.052
local terms energy: -211.458150
where:
bonds (distance) C4'-P energy: -42.574
bonds (distance) P-C4' energy: -35.384
flat angles C4'-P-C4' energy: -50.169
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -46.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -596.227215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.227215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.227215 (E_RNA)
where:
Base-Base interactions energy: -388.215
where: short stacking energy: -179.557
Base-Backbone interact. energy: -0.554
local terms energy: -207.458393
where:
bonds (distance) C4'-P energy: -43.535
bonds (distance) P-C4' energy: -39.920
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -28.152
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -485.542260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.542260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.542260 (E_RNA)
where:
Base-Base interactions energy: -305.733
where: short stacking energy: -162.186
Base-Backbone interact. energy: 2.078
local terms energy: -181.887117
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -53.701
flat angles C4'-P-C4' energy: -38.436
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -43.191
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: 52
Temperature: 1.200000
Total energy: -466.099828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.099828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.099828 (E_RNA)
where:
Base-Base interactions energy: -288.393
where: short stacking energy: -147.164
Base-Backbone interact. energy: -0.812
local terms energy: -176.895603
where:
bonds (distance) C4'-P energy: -34.542
bonds (distance) P-C4' energy: -40.174
flat angles C4'-P-C4' energy: -41.887
flat angles P-C4'-P energy: -31.467
tors. eta vs tors. theta energy: -28.826
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: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -297.203724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.203724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.203724 (E_RNA)
where:
Base-Base interactions energy: -161.654
where: short stacking energy: -98.098
Base-Backbone interact. energy: -0.616
local terms energy: -134.933703
where:
bonds (distance) C4'-P energy: -35.643
bonds (distance) P-C4' energy: -42.527
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -25.069
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -210.447525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.447525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.447525 (E_RNA)
where:
Base-Base interactions energy: -92.985
where: short stacking energy: -82.082
Base-Backbone interact. energy: 0.366
local terms energy: -117.828009
where:
bonds (distance) C4'-P energy: -41.642
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -24.546
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: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -199.591927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.591927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.591927 (E_RNA)
where:
Base-Base interactions energy: -84.404
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.382
local terms energy: -114.805398
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -39.974
flat angles P-C4'-P energy: -13.435
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -765.938892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.938892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.938892 (E_RNA)
where:
Base-Base interactions energy: -539.508
where: short stacking energy: -218.799
Base-Backbone interact. energy: 0.854
local terms energy: -227.284906
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -38.058
tors. eta vs tors. theta energy: -46.748
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: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -736.611276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.611276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.611276 (E_RNA)
where:
Base-Base interactions energy: -477.353
where: short stacking energy: -220.283
Base-Backbone interact. energy: -0.401
local terms energy: -258.857337
where:
bonds (distance) C4'-P energy: -57.345
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -38.462
tors. eta vs tors. theta energy: -59.724
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: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -632.273853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.273853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.273853 (E_RNA)
where:
Base-Base interactions energy: -420.118
where: short stacking energy: -190.754
Base-Backbone interact. energy: 1.896
local terms energy: -214.051465
where:
bonds (distance) C4'-P energy: -40.645
bonds (distance) P-C4' energy: -50.454
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -29.369
tors. eta vs tors. theta energy: -43.456
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: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -671.781858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.781858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.781858 (E_RNA)
where:
Base-Base interactions energy: -455.723
where: short stacking energy: -204.663
Base-Backbone interact. energy: 2.716
local terms energy: -218.774149
where:
bonds (distance) C4'-P energy: -39.362
bonds (distance) P-C4' energy: -45.695
flat angles C4'-P-C4' energy: -48.205
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -56.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -578.613240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.613240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.613240 (E_RNA)
where:
Base-Base interactions energy: -381.108
where: short stacking energy: -162.855
Base-Backbone interact. energy: -2.479
local terms energy: -195.026848
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -46.839
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -463.606822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.606822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.606822 (E_RNA)
where:
Base-Base interactions energy: -278.889
where: short stacking energy: -131.506
Base-Backbone interact. energy: -0.531
local terms energy: -184.186091
where:
bonds (distance) C4'-P energy: -39.181
bonds (distance) P-C4' energy: -36.705
flat angles C4'-P-C4' energy: -44.575
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -33.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -394.178063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.178063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.178063 (E_RNA)
where:
Base-Base interactions energy: -224.663
where: short stacking energy: -131.088
Base-Backbone interact. energy: -0.497
local terms energy: -169.017685
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -44.784
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -25.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -376.496066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.496066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.496066 (E_RNA)
where:
Base-Base interactions energy: -210.975
where: short stacking energy: -117.549
Base-Backbone interact. energy: -1.232
local terms energy: -164.289126
where:
bonds (distance) C4'-P energy: -32.837
bonds (distance) P-C4' energy: -41.482
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -32.891
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -253.755826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.755826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.755826 (E_RNA)
where:
Base-Base interactions energy: -132.070
where: short stacking energy: -85.991
Base-Backbone interact. energy: 2.203
local terms energy: -123.889123
where:
bonds (distance) C4'-P energy: -32.758
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -31.602
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -222.876223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.876223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.876223 (E_RNA)
where:
Base-Base interactions energy: -78.966
where: short stacking energy: -62.913
Base-Backbone interact. energy: -0.614
local terms energy: -143.296230
where:
bonds (distance) C4'-P energy: -38.779
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -44.792
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: 2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -796.460298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.460298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.460298 (E_RNA)
where:
Base-Base interactions energy: -544.111
where: short stacking energy: -234.599
Base-Backbone interact. energy: -0.180
local terms energy: -252.169760
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -44.831
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -40.091
tors. eta vs tors. theta energy: -66.697
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: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -755.762247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.762247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.762247 (E_RNA)
where:
Base-Base interactions energy: -516.122
where: short stacking energy: -216.072
Base-Backbone interact. energy: 0.115
local terms energy: -239.755665
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -55.969
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: -54.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -677.398654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.398654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.398654 (E_RNA)
where:
Base-Base interactions energy: -456.752
where: short stacking energy: -187.035
Base-Backbone interact. energy: -0.224
local terms energy: -220.422493
where:
bonds (distance) C4'-P energy: -38.591
bonds (distance) P-C4' energy: -43.489
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -58.737
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: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -608.652978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.652978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.652978 (E_RNA)
where:
Base-Base interactions energy: -403.383
where: short stacking energy: -180.840
Base-Backbone interact. energy: -2.644
local terms energy: -202.626046
where:
bonds (distance) C4'-P energy: -30.393
bonds (distance) P-C4' energy: -44.594
flat angles C4'-P-C4' energy: -45.645
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -43.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -523.655148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.655148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.655148 (E_RNA)
where:
Base-Base interactions energy: -315.899
where: short stacking energy: -153.503
Base-Backbone interact. energy: 0.704
local terms energy: -208.460907
where:
bonds (distance) C4'-P energy: -34.718
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -50.955
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: -38.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -557.564097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.564097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.564097 (E_RNA)
where:
Base-Base interactions energy: -357.189
where: short stacking energy: -160.481
Base-Backbone interact. energy: -0.878
local terms energy: -199.496813
where:
bonds (distance) C4'-P energy: -43.271
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -51.403
flat angles P-C4'-P energy: -34.416
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: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -434.458897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.458897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.458897 (E_RNA)
where:
Base-Base interactions energy: -262.199
where: short stacking energy: -133.311
Base-Backbone interact. energy: -0.233
local terms energy: -172.027442
where:
bonds (distance) C4'-P energy: -39.408
bonds (distance) P-C4' energy: -35.275
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -27.670
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -340.829108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.829108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.829108 (E_RNA)
where:
Base-Base interactions energy: -192.483
where: short stacking energy: -102.549
Base-Backbone interact. energy: 0.554
local terms energy: -148.899707
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -37.038
flat angles C4'-P-C4' energy: -41.158
flat angles P-C4'-P energy: -26.691
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: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -212.034400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.034400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.034400 (E_RNA)
where:
Base-Base interactions energy: -66.798
where: short stacking energy: -65.430
Base-Backbone interact. energy: 2.466
local terms energy: -147.702146
where:
bonds (distance) C4'-P energy: -43.706
bonds (distance) P-C4' energy: -48.885
flat angles C4'-P-C4' energy: -37.392
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -198.912739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.912739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.912739 (E_RNA)
where:
Base-Base interactions energy: -77.560
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.800
local terms energy: -120.553608
where:
bonds (distance) C4'-P energy: -39.089
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -804.283386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.283386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.283386 (E_RNA)
where:
Base-Base interactions energy: -546.033
where: short stacking energy: -241.896
Base-Backbone interact. energy: -0.137
local terms energy: -258.113704
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -55.277
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -66.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -742.315582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.315582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.315582 (E_RNA)
where:
Base-Base interactions energy: -517.620
where: short stacking energy: -217.276
Base-Backbone interact. energy: -2.115
local terms energy: -222.580081
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -54.721
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -53.108
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: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -694.147767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.147767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.147767 (E_RNA)
where:
Base-Base interactions energy: -472.039
where: short stacking energy: -211.170
Base-Backbone interact. energy: -2.102
local terms energy: -220.006267
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -44.229
flat angles C4'-P-C4' energy: -43.183
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -54.876
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: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -624.484132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.484132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.484132 (E_RNA)
where:
Base-Base interactions energy: -419.986
where: short stacking energy: -172.633
Base-Backbone interact. energy: -1.196
local terms energy: -203.301590
where:
bonds (distance) C4'-P energy: -32.017
bonds (distance) P-C4' energy: -48.201
flat angles C4'-P-C4' energy: -45.283
flat angles P-C4'-P energy: -32.816
tors. eta vs tors. theta energy: -44.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -487.111211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.111211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.111211 (E_RNA)
where:
Base-Base interactions energy: -294.790
where: short stacking energy: -131.961
Base-Backbone interact. energy: 0.150
local terms energy: -192.471520
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -46.682
flat angles P-C4'-P energy: -24.913
tors. eta vs tors. theta energy: -36.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -564.709916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.709916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.709916 (E_RNA)
where:
Base-Base interactions energy: -360.525
where: short stacking energy: -160.097
Base-Backbone interact. energy: -0.481
local terms energy: -203.704038
where:
bonds (distance) C4'-P energy: -38.864
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -51.928
flat angles P-C4'-P energy: -24.703
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: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -405.705902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.705902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.705902 (E_RNA)
where:
Base-Base interactions energy: -236.577
where: short stacking energy: -122.805
Base-Backbone interact. energy: -0.131
local terms energy: -168.997132
where:
bonds (distance) C4'-P energy: -42.608
bonds (distance) P-C4' energy: -52.624
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -12.571
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: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -362.212742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.212742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.212742 (E_RNA)
where:
Base-Base interactions energy: -205.667
where: short stacking energy: -102.524
Base-Backbone interact. energy: 0.712
local terms energy: -157.257728
where:
bonds (distance) C4'-P energy: -34.407
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -35.110
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -229.852738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.852738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.852738 (E_RNA)
where:
Base-Base interactions energy: -98.534
where: short stacking energy: -85.118
Base-Backbone interact. energy: -0.400
local terms energy: -130.918600
where:
bonds (distance) C4'-P energy: -36.588
bonds (distance) P-C4' energy: -31.800
flat angles C4'-P-C4' energy: -37.389
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -198.300159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.300159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.300159 (E_RNA)
where:
Base-Base interactions energy: -71.569
where: short stacking energy: -59.480
Base-Backbone interact. energy: -0.930
local terms energy: -125.800841
where:
bonds (distance) C4'-P energy: -33.353
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -18.171
tors. eta vs tors. theta energy: 0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -789.270073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.270073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.270073 (E_RNA)
where:
Base-Base interactions energy: -553.232
where: short stacking energy: -238.839
Base-Backbone interact. energy: -0.010
local terms energy: -236.027995
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -47.838
flat angles P-C4'-P energy: -34.222
tors. eta vs tors. theta energy: -66.818
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: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -736.988415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.988415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.988415 (E_RNA)
where:
Base-Base interactions energy: -504.136
where: short stacking energy: -199.780
Base-Backbone interact. energy: 1.932
local terms energy: -234.784272
where:
bonds (distance) C4'-P energy: -47.503
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -37.971
tors. eta vs tors. theta energy: -53.053
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: 56
Temperature: 1.000000
Total energy: -690.929209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.929209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.929209 (E_RNA)
where:
Base-Base interactions energy: -477.855
where: short stacking energy: -182.810
Base-Backbone interact. energy: -1.415
local terms energy: -211.659427
where:
bonds (distance) C4'-P energy: -38.787
bonds (distance) P-C4' energy: -48.104
flat angles C4'-P-C4' energy: -51.071
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -53.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -629.486568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.486568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.486568 (E_RNA)
where:
Base-Base interactions energy: -426.748
where: short stacking energy: -162.524
Base-Backbone interact. energy: -0.615
local terms energy: -202.123023
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -46.518
flat angles C4'-P-C4' energy: -51.518
flat angles P-C4'-P energy: -29.116
tors. eta vs tors. theta energy: -35.600
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: 56
Temperature: 1.100000
Total energy: -614.601542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.601542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.601542 (E_RNA)
where:
Base-Base interactions energy: -404.060
where: short stacking energy: -182.507
Base-Backbone interact. energy: -1.617
local terms energy: -208.923873
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -40.873
flat angles C4'-P-C4' energy: -43.335
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: -54.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -481.583118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.583118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.583118 (E_RNA)
where:
Base-Base interactions energy: -290.939
where: short stacking energy: -150.466
Base-Backbone interact. energy: -0.970
local terms energy: -189.673759
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -50.086
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -32.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -416.876473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.876473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.876473 (E_RNA)
where:
Base-Base interactions energy: -270.090
where: short stacking energy: -120.009
Base-Backbone interact. energy: 0.302
local terms energy: -147.088620
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -40.529
flat angles C4'-P-C4' energy: -40.549
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -329.613201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.613201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.613201 (E_RNA)
where:
Base-Base interactions energy: -177.837
where: short stacking energy: -103.245
Base-Backbone interact. energy: -1.196
local terms energy: -150.580206
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -226.665472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.665472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.665472 (E_RNA)
where:
Base-Base interactions energy: -75.901
where: short stacking energy: -70.170
Base-Backbone interact. energy: -1.044
local terms energy: -149.721200
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -52.909
flat angles C4'-P-C4' energy: -38.611
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -239.212404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.212404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.212404 (E_RNA)
where:
Base-Base interactions energy: -103.629
where: short stacking energy: -60.047
Base-Backbone interact. energy: -1.177
local terms energy: -134.406195
where:
bonds (distance) C4'-P energy: -44.241
bonds (distance) P-C4' energy: -38.923
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -20.458
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -810.031843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.031843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.031843 (E_RNA)
where:
Base-Base interactions energy: -571.604
where: short stacking energy: -229.290
Base-Backbone interact. energy: 0.256
local terms energy: -238.683643
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -38.893
flat angles C4'-P-C4' energy: -53.030
flat angles P-C4'-P energy: -34.875
tors. eta vs tors. theta energy: -68.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -764.612488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.612488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.612488 (E_RNA)
where:
Base-Base interactions energy: -528.348
where: short stacking energy: -205.610
Base-Backbone interact. energy: -1.094
local terms energy: -235.170535
where:
bonds (distance) C4'-P energy: -53.547
bonds (distance) P-C4' energy: -42.713
flat angles C4'-P-C4' energy: -50.905
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -53.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -718.284832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.284832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.284832 (E_RNA)
where:
Base-Base interactions energy: -495.377
where: short stacking energy: -214.089
Base-Backbone interact. energy: 0.055
local terms energy: -222.963221
where:
bonds (distance) C4'-P energy: -45.578
bonds (distance) P-C4' energy: -42.567
flat angles C4'-P-C4' energy: -48.936
flat angles P-C4'-P energy: -29.464
tors. eta vs tors. theta energy: -56.418
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: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -622.098803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.098803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.098803 (E_RNA)
where:
Base-Base interactions energy: -415.259
where: short stacking energy: -168.402
Base-Backbone interact. energy: -2.244
local terms energy: -204.596297
where:
bonds (distance) C4'-P energy: -40.850
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -51.776
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -41.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -602.774919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.774919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.774919 (E_RNA)
where:
Base-Base interactions energy: -402.532
where: short stacking energy: -191.196
Base-Backbone interact. energy: -0.572
local terms energy: -199.671110
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -50.204
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -51.115
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: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -505.710339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.710339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.710339 (E_RNA)
where:
Base-Base interactions energy: -328.014
where: short stacking energy: -159.393
Base-Backbone interact. energy: -2.338
local terms energy: -175.358457
where:
bonds (distance) C4'-P energy: -43.138
bonds (distance) P-C4' energy: -43.187
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -30.490
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: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -437.494373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.494373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.494373 (E_RNA)
where:
Base-Base interactions energy: -252.802
where: short stacking energy: -139.733
Base-Backbone interact. energy: -1.591
local terms energy: -183.102111
where:
bonds (distance) C4'-P energy: -44.580
bonds (distance) P-C4' energy: -43.533
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -24.698
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -354.857698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.857698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.857698 (E_RNA)
where:
Base-Base interactions energy: -201.490
where: short stacking energy: -108.534
Base-Backbone interact. energy: -1.158
local terms energy: -152.210144
where:
bonds (distance) C4'-P energy: -32.736
bonds (distance) P-C4' energy: -42.171
flat angles C4'-P-C4' energy: -28.623
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -22.226
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: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -237.613731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.613731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.613731 (E_RNA)
where:
Base-Base interactions energy: -108.580
where: short stacking energy: -78.336
Base-Backbone interact. energy: 0.714
local terms energy: -129.748191
where:
bonds (distance) C4'-P energy: -35.007
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -8.240
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: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -212.485427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.485427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.485427 (E_RNA)
where:
Base-Base interactions energy: -72.168
where: short stacking energy: -38.174
Base-Backbone interact. energy: -1.745
local terms energy: -138.571578
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -43.132
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: 8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -821.906301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.906301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.906301 (E_RNA)
where:
Base-Base interactions energy: -568.170
where: short stacking energy: -243.414
Base-Backbone interact. energy: 0.643
local terms energy: -254.379610
where:
bonds (distance) C4'-P energy: -46.248
bonds (distance) P-C4' energy: -46.189
flat angles C4'-P-C4' energy: -50.542
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -70.466
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: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -771.602633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.602633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.602633 (E_RNA)
where:
Base-Base interactions energy: -528.915
where: short stacking energy: -204.914
Base-Backbone interact. energy: -1.535
local terms energy: -241.152534
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -56.399
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: -56.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -673.402186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.402186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.402186 (E_RNA)
where:
Base-Base interactions energy: -467.527
where: short stacking energy: -181.801
Base-Backbone interact. energy: 2.382
local terms energy: -208.256622
where:
bonds (distance) C4'-P energy: -36.699
bonds (distance) P-C4' energy: -50.379
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -24.951
tors. eta vs tors. theta energy: -46.804
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: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -627.751167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.751167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.751167 (E_RNA)
where:
Base-Base interactions energy: -410.919
where: short stacking energy: -191.161
Base-Backbone interact. energy: 0.091
local terms energy: -216.922909
where:
bonds (distance) C4'-P energy: -42.399
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -51.724
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -47.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -595.085184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.085184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.085184 (E_RNA)
where:
Base-Base interactions energy: -374.630
where: short stacking energy: -169.137
Base-Backbone interact. energy: -1.433
local terms energy: -219.021852
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -43.522
flat angles C4'-P-C4' energy: -48.379
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -45.686
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: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -497.239362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.239362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.239362 (E_RNA)
where:
Base-Base interactions energy: -311.405
where: short stacking energy: -152.930
Base-Backbone interact. energy: 0.176
local terms energy: -186.010617
where:
bonds (distance) C4'-P energy: -40.278
bonds (distance) P-C4' energy: -30.072
flat angles C4'-P-C4' energy: -46.489
flat angles P-C4'-P energy: -30.556
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: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -382.677927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.677927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.677927 (E_RNA)
where:
Base-Base interactions energy: -212.905
where: short stacking energy: -113.352
Base-Backbone interact. energy: -0.657
local terms energy: -169.115400
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -39.615
flat angles C4'-P-C4' energy: -43.292
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -17.190
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: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -332.352738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.352738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.352738 (E_RNA)
where:
Base-Base interactions energy: -167.676
where: short stacking energy: -88.913
Base-Backbone interact. energy: -0.135
local terms energy: -164.541354
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -50.923
flat angles C4'-P-C4' energy: -38.275
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -220.207241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.207241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.207241 (E_RNA)
where:
Base-Base interactions energy: -97.900
where: short stacking energy: -84.658
Base-Backbone interact. energy: 1.804
local terms energy: -124.110987
where:
bonds (distance) C4'-P energy: -37.032
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -24.517
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: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -245.042790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.042790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.042790 (E_RNA)
where:
Base-Base interactions energy: -117.378
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.252
local terms energy: -127.413226
where:
bonds (distance) C4'-P energy: -38.665
bonds (distance) P-C4' energy: -34.985
flat angles C4'-P-C4' energy: -36.439
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -3.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -821.694911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.694911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.694911 (E_RNA)
where:
Base-Base interactions energy: -578.133
where: short stacking energy: -245.382
Base-Backbone interact. energy: -0.501
local terms energy: -243.060680
where:
bonds (distance) C4'-P energy: -47.940
bonds (distance) P-C4' energy: -39.917
flat angles C4'-P-C4' energy: -47.063
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -73.325
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: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -768.042963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.042963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.042963 (E_RNA)
where:
Base-Base interactions energy: -537.597
where: short stacking energy: -221.976
Base-Backbone interact. energy: -0.519
local terms energy: -229.927103
where:
bonds (distance) C4'-P energy: -47.536
bonds (distance) P-C4' energy: -52.432
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -30.180
tors. eta vs tors. theta energy: -55.470
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: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -687.442168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.442168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.442168 (E_RNA)
where:
Base-Base interactions energy: -467.609
where: short stacking energy: -204.329
Base-Backbone interact. energy: 0.973
local terms energy: -220.806479
where:
bonds (distance) C4'-P energy: -47.824
bonds (distance) P-C4' energy: -45.379
flat angles C4'-P-C4' energy: -43.416
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -49.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -613.582066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.582066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.582066 (E_RNA)
where:
Base-Base interactions energy: -392.398
where: short stacking energy: -173.352
Base-Backbone interact. energy: -6.039
local terms energy: -215.144791
where:
bonds (distance) C4'-P energy: -46.120
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -49.410
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -38.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -602.148205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.148205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.148205 (E_RNA)
where:
Base-Base interactions energy: -386.550
where: short stacking energy: -202.318
Base-Backbone interact. energy: 0.787
local terms energy: -216.385434
where:
bonds (distance) C4'-P energy: -38.814
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -43.855
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -60.264
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: 59
Temperature: 1.150000
Total energy: -488.895207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.895207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.895207 (E_RNA)
where:
Base-Base interactions energy: -309.133
where: short stacking energy: -161.795
Base-Backbone interact. energy: -0.871
local terms energy: -178.891642
where:
bonds (distance) C4'-P energy: -41.969
bonds (distance) P-C4' energy: -36.159
flat angles C4'-P-C4' energy: -41.172
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: -30.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -427.784843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.784843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.784843 (E_RNA)
where:
Base-Base interactions energy: -252.536
where: short stacking energy: -127.724
Base-Backbone interact. energy: -1.390
local terms energy: -173.858726
where:
bonds (distance) C4'-P energy: -37.911
bonds (distance) P-C4' energy: -48.373
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -29.214
tors. eta vs tors. theta energy: -23.111
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: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -333.655994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.655994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.655994 (E_RNA)
where:
Base-Base interactions energy: -170.945
where: short stacking energy: -87.594
Base-Backbone interact. energy: -0.812
local terms energy: -161.899106
where:
bonds (distance) C4'-P energy: -43.660
bonds (distance) P-C4' energy: -48.068
flat angles C4'-P-C4' energy: -41.486
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -17.724
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -242.375326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.375326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.375326 (E_RNA)
where:
Base-Base interactions energy: -112.956
where: short stacking energy: -72.915
Base-Backbone interact. energy: 1.402
local terms energy: -130.821434
where:
bonds (distance) C4'-P energy: -32.902
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -35.922
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -200.035562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.035562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.035562 (E_RNA)
where:
Base-Base interactions energy: -71.827
where: short stacking energy: -65.240
Base-Backbone interact. energy: 0.399
local terms energy: -128.607794
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -47.626
flat angles C4'-P-C4' energy: -34.755
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -798.738014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.738014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.738014 (E_RNA)
where:
Base-Base interactions energy: -563.386
where: short stacking energy: -233.005
Base-Backbone interact. energy: -2.339
local terms energy: -233.013010
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -49.760
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -55.732
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: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -821.139032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.139032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.139032 (E_RNA)
where:
Base-Base interactions energy: -573.459
where: short stacking energy: -250.446
Base-Backbone interact. energy: -0.526
local terms energy: -247.154144
where:
bonds (distance) C4'-P energy: -49.431
bonds (distance) P-C4' energy: -39.700
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -36.182
tors. eta vs tors. theta energy: -71.172
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: 60
Temperature: 1.000000
Total energy: -690.245643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.245643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.245643 (E_RNA)
where:
Base-Base interactions energy: -464.227
where: short stacking energy: -185.948
Base-Backbone interact. energy: -1.166
local terms energy: -224.852745
where:
bonds (distance) C4'-P energy: -45.934
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -38.607
flat angles P-C4'-P energy: -36.984
tors. eta vs tors. theta energy: -57.037
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: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -608.547239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.547239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.547239 (E_RNA)
where:
Base-Base interactions energy: -384.941
where: short stacking energy: -180.574
Base-Backbone interact. energy: 0.951
local terms energy: -224.558023
where:
bonds (distance) C4'-P energy: -44.366
bonds (distance) P-C4' energy: -51.934
flat angles C4'-P-C4' energy: -50.946
flat angles P-C4'-P energy: -28.622
tors. eta vs tors. theta energy: -48.690
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: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -581.225447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.225447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.225447 (E_RNA)
where:
Base-Base interactions energy: -375.933
where: short stacking energy: -178.041
Base-Backbone interact. energy: -0.242
local terms energy: -205.049609
where:
bonds (distance) C4'-P energy: -43.417
bonds (distance) P-C4' energy: -44.440
flat angles C4'-P-C4' energy: -38.473
flat angles P-C4'-P energy: -29.275
tors. eta vs tors. theta energy: -49.445
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: 60
Temperature: 1.150000
Total energy: -444.720092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.720092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.720092 (E_RNA)
where:
Base-Base interactions energy: -268.867
where: short stacking energy: -138.712
Base-Backbone interact. energy: -0.942
local terms energy: -174.910865
where:
bonds (distance) C4'-P energy: -41.775
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -441.259318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.259318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.259318 (E_RNA)
where:
Base-Base interactions energy: -280.739
where: short stacking energy: -132.470
Base-Backbone interact. energy: 1.016
local terms energy: -161.536697
where:
bonds (distance) C4'-P energy: -42.156
bonds (distance) P-C4' energy: -30.897
flat angles C4'-P-C4' energy: -43.572
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -306.011338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.011338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.011338 (E_RNA)
where:
Base-Base interactions energy: -159.273
where: short stacking energy: -84.796
Base-Backbone interact. energy: 0.127
local terms energy: -146.864517
where:
bonds (distance) C4'-P energy: -35.189
bonds (distance) P-C4' energy: -40.510
flat angles C4'-P-C4' energy: -41.232
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -217.477008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.477008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.477008 (E_RNA)
where:
Base-Base interactions energy: -72.350
where: short stacking energy: -62.582
Base-Backbone interact. energy: -1.665
local terms energy: -143.461818
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -50.405
flat angles C4'-P-C4' energy: -40.917
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -200.529420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.529420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.529420 (E_RNA)
where:
Base-Base interactions energy: -77.153
where: short stacking energy: -64.021
Base-Backbone interact. energy: -0.965
local terms energy: -122.410823
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -39.436
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -22.228
tors. eta vs tors. theta energy: 4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -787.813108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.813108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.813108 (E_RNA)
where:
Base-Base interactions energy: -556.969
where: short stacking energy: -226.926
Base-Backbone interact. energy: -0.907
local terms energy: -229.936377
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -46.484
flat angles C4'-P-C4' energy: -44.376
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -47.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -802.228676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.228676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.228676 (E_RNA)
where:
Base-Base interactions energy: -546.914
where: short stacking energy: -224.076
Base-Backbone interact. energy: 0.351
local terms energy: -255.665857
where:
bonds (distance) C4'-P energy: -43.641
bonds (distance) P-C4' energy: -54.650
flat angles C4'-P-C4' energy: -51.013
flat angles P-C4'-P energy: -37.605
tors. eta vs tors. theta energy: -68.756
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: 61
Temperature: 1.000000
Total energy: -705.512829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.512829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.512829 (E_RNA)
where:
Base-Base interactions energy: -474.099
where: short stacking energy: -213.431
Base-Backbone interact. energy: -1.110
local terms energy: -230.303312
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -47.320
flat angles C4'-P-C4' energy: -45.797
flat angles P-C4'-P energy: -32.176
tors. eta vs tors. theta energy: -57.150
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: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -610.612370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.612370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.612370 (E_RNA)
where:
Base-Base interactions energy: -392.220
where: short stacking energy: -201.106
Base-Backbone interact. energy: -0.271
local terms energy: -218.121824
where:
bonds (distance) C4'-P energy: -42.975
bonds (distance) P-C4' energy: -46.160
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -51.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -554.906710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.906710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.906710 (E_RNA)
where:
Base-Base interactions energy: -364.279
where: short stacking energy: -161.122
Base-Backbone interact. energy: -0.304
local terms energy: -190.323921
where:
bonds (distance) C4'-P energy: -37.741
bonds (distance) P-C4' energy: -44.820
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: -37.006
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: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -451.758798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.758798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.758798 (E_RNA)
where:
Base-Base interactions energy: -275.229
where: short stacking energy: -145.113
Base-Backbone interact. energy: 0.859
local terms energy: -177.388793
where:
bonds (distance) C4'-P energy: -35.299
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: -27.821
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: 61
Temperature: 1.200000
Total energy: -407.842977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.842977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.842977 (E_RNA)
where:
Base-Base interactions energy: -240.500
where: short stacking energy: -123.212
Base-Backbone interact. energy: -0.754
local terms energy: -166.589354
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -29.994
tors. eta vs tors. theta energy: -25.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -247.356584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.356584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.356584 (E_RNA)
where:
Base-Base interactions energy: -110.239
where: short stacking energy: -55.785
Base-Backbone interact. energy: 0.113
local terms energy: -137.230883
where:
bonds (distance) C4'-P energy: -31.115
bonds (distance) P-C4' energy: -50.352
flat angles C4'-P-C4' energy: -36.649
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: 2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -264.410166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.410166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.410166 (E_RNA)
where:
Base-Base interactions energy: -135.858
where: short stacking energy: -79.420
Base-Backbone interact. energy: -1.644
local terms energy: -126.908263
where:
bonds (distance) C4'-P energy: -34.493
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -24.271
flat angles P-C4'-P energy: -22.360
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -203.459839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.459839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.459839 (E_RNA)
where:
Base-Base interactions energy: -77.555
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.690
local terms energy: -125.214375
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -21.970
tors. eta vs tors. theta energy: 3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -831.128703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.128703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.128703 (E_RNA)
where:
Base-Base interactions energy: -574.003
where: short stacking energy: -227.799
Base-Backbone interact. energy: -0.150
local terms energy: -256.975827
where:
bonds (distance) C4'-P energy: -50.777
bonds (distance) P-C4' energy: -49.516
flat angles C4'-P-C4' energy: -50.700
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -67.264
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: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -790.633956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.633956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.633956 (E_RNA)
where:
Base-Base interactions energy: -547.009
where: short stacking energy: -224.686
Base-Backbone interact. energy: 1.395
local terms energy: -245.020311
where:
bonds (distance) C4'-P energy: -49.191
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -53.868
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -56.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -702.550028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.550028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.550028 (E_RNA)
where:
Base-Base interactions energy: -502.692
where: short stacking energy: -212.510
Base-Backbone interact. energy: 1.801
local terms energy: -201.659349
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -33.821
flat angles C4'-P-C4' energy: -39.047
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -55.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -582.884928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.884928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.884928 (E_RNA)
where:
Base-Base interactions energy: -382.774
where: short stacking energy: -186.145
Base-Backbone interact. energy: -0.232
local terms energy: -199.879366
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -51.931
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -38.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -580.115208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.115208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.115208 (E_RNA)
where:
Base-Base interactions energy: -371.535
where: short stacking energy: -172.938
Base-Backbone interact. energy: -0.804
local terms energy: -207.777035
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -48.583
flat angles C4'-P-C4' energy: -44.237
flat angles P-C4'-P energy: -28.102
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: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -457.356765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.356765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.356765 (E_RNA)
where:
Base-Base interactions energy: -270.628
where: short stacking energy: -126.664
Base-Backbone interact. energy: -0.227
local terms energy: -186.501513
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -42.272
flat angles P-C4'-P energy: -34.506
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: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -441.529089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.529089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.529089 (E_RNA)
where:
Base-Base interactions energy: -265.271
where: short stacking energy: -129.439
Base-Backbone interact. energy: -0.862
local terms energy: -175.396180
where:
bonds (distance) C4'-P energy: -33.006
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -44.135
flat angles P-C4'-P energy: -27.830
tors. eta vs tors. theta energy: -26.498
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: 62
Temperature: 1.250000
Total energy: -285.908726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.908726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.908726 (E_RNA)
where:
Base-Base interactions energy: -131.116
where: short stacking energy: -64.619
Base-Backbone interact. energy: -2.508
local terms energy: -152.284408
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -46.459
flat angles C4'-P-C4' energy: -30.045
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -7.458
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: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -278.005049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.005049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.005049 (E_RNA)
where:
Base-Base interactions energy: -119.204
where: short stacking energy: -71.363
Base-Backbone interact. energy: 2.521
local terms energy: -161.321495
where:
bonds (distance) C4'-P energy: -34.705
bonds (distance) P-C4' energy: -51.508
flat angles C4'-P-C4' energy: -34.228
flat angles P-C4'-P energy: -31.122
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -206.582211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.582211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.582211 (E_RNA)
where:
Base-Base interactions energy: -76.648
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.638
local terms energy: -129.295933
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -38.563
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -826.214002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.214002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.214002 (E_RNA)
where:
Base-Base interactions energy: -581.341
where: short stacking energy: -250.253
Base-Backbone interact. energy: 1.188
local terms energy: -246.060835
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -40.497
flat angles C4'-P-C4' energy: -55.529
flat angles P-C4'-P energy: -35.850
tors. eta vs tors. theta energy: -70.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -770.842234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.842234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.842234 (E_RNA)
where:
Base-Base interactions energy: -536.254
where: short stacking energy: -219.837
Base-Backbone interact. energy: -1.421
local terms energy: -233.167135
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -48.373
flat angles C4'-P-C4' energy: -48.637
flat angles P-C4'-P energy: -35.490
tors. eta vs tors. theta energy: -53.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -719.717905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.717905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.717905 (E_RNA)
where:
Base-Base interactions energy: -508.236
where: short stacking energy: -201.889
Base-Backbone interact. energy: -2.004
local terms energy: -209.477371
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -46.460
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -54.591
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: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -613.700361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.700361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.700361 (E_RNA)
where:
Base-Base interactions energy: -398.930
where: short stacking energy: -176.814
Base-Backbone interact. energy: -1.473
local terms energy: -213.297577
where:
bonds (distance) C4'-P energy: -41.396
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -49.303
flat angles P-C4'-P energy: -36.555
tors. eta vs tors. theta energy: -40.643
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: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -553.120858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.120858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.120858 (E_RNA)
where:
Base-Base interactions energy: -351.532
where: short stacking energy: -139.811
Base-Backbone interact. energy: -0.482
local terms energy: -201.106813
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -31.071
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: 63
Temperature: 1.150000
Total energy: -472.323856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.323856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.323856 (E_RNA)
where:
Base-Base interactions energy: -286.278
where: short stacking energy: -160.302
Base-Backbone interact. energy: -0.665
local terms energy: -185.380913
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -42.876
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -22.379
tors. eta vs tors. theta energy: -27.995
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: 7, replica: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -481.966750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.966750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.966750 (E_RNA)
where:
Base-Base interactions energy: -291.035
where: short stacking energy: -123.107
Base-Backbone interact. energy: -1.710
local terms energy: -189.222328
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -35.248
flat angles P-C4'-P energy: -35.938
tors. eta vs tors. theta energy: -28.981
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: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -336.727559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.727559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.727559 (E_RNA)
where:
Base-Base interactions energy: -170.437
where: short stacking energy: -97.167
Base-Backbone interact. energy: -1.184
local terms energy: -165.106933
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -47.045
flat angles C4'-P-C4' energy: -46.137
flat angles P-C4'-P energy: -23.712
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -274.544014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.544014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.544014 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -84.717
Base-Backbone interact. energy: -0.791
local terms energy: -131.949387
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -40.695
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -186.571167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.571167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.571167 (E_RNA)
where:
Base-Base interactions energy: -52.387
where: short stacking energy: -38.855
Base-Backbone interact. energy: -0.702
local terms energy: -133.482815
where:
bonds (distance) C4'-P energy: -33.671
bonds (distance) P-C4' energy: -46.759
flat angles C4'-P-C4' energy: -33.882
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: 6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -823.905853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.905853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.905853 (E_RNA)
where:
Base-Base interactions energy: -561.583
where: short stacking energy: -241.710
Base-Backbone interact. energy: -0.415
local terms energy: -261.908167
where:
bonds (distance) C4'-P energy: -45.765
bonds (distance) P-C4' energy: -52.144
flat angles C4'-P-C4' energy: -52.467
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -72.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -747.799967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.799967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.799967 (E_RNA)
where:
Base-Base interactions energy: -519.780
where: short stacking energy: -210.094
Base-Backbone interact. energy: -0.260
local terms energy: -227.759702
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -47.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -701.741660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.741660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.741660 (E_RNA)
where:
Base-Base interactions energy: -492.087
where: short stacking energy: -209.659
Base-Backbone interact. energy: 0.515
local terms energy: -210.168873
where:
bonds (distance) C4'-P energy: -37.239
bonds (distance) P-C4' energy: -39.959
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -55.767
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: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -621.024548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.024548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.024548 (E_RNA)
where:
Base-Base interactions energy: -415.952
where: short stacking energy: -192.294
Base-Backbone interact. energy: -0.625
local terms energy: -204.447679
where:
bonds (distance) C4'-P energy: -35.095
bonds (distance) P-C4' energy: -41.347
flat angles C4'-P-C4' energy: -44.738
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -52.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -519.411055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.411055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.411055 (E_RNA)
where:
Base-Base interactions energy: -339.362
where: short stacking energy: -151.575
Base-Backbone interact. energy: 0.527
local terms energy: -180.576335
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -45.409
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -19.884
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: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -487.141101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.141101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.141101 (E_RNA)
where:
Base-Base interactions energy: -293.507
where: short stacking energy: -162.729
Base-Backbone interact. energy: -0.130
local terms energy: -193.503794
where:
bonds (distance) C4'-P energy: -35.669
bonds (distance) P-C4' energy: -42.281
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -42.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -494.549124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.549124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.549124 (E_RNA)
where:
Base-Base interactions energy: -320.943
where: short stacking energy: -154.137
Base-Backbone interact. energy: -1.203
local terms energy: -172.403192
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -42.058
flat angles P-C4'-P energy: -25.930
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: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -336.827110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.827110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.827110 (E_RNA)
where:
Base-Base interactions energy: -184.216
where: short stacking energy: -101.644
Base-Backbone interact. energy: 0.062
local terms energy: -152.672990
where:
bonds (distance) C4'-P energy: -42.257
bonds (distance) P-C4' energy: -41.232
flat angles C4'-P-C4' energy: -40.337
flat angles P-C4'-P energy: -21.282
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -255.963502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.963502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.963502 (E_RNA)
where:
Base-Base interactions energy: -126.400
where: short stacking energy: -80.850
Base-Backbone interact. energy: 4.379
local terms energy: -133.942692
where:
bonds (distance) C4'-P energy: -36.753
bonds (distance) P-C4' energy: -32.804
flat angles C4'-P-C4' energy: -34.986
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -193.634091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.634091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.634091 (E_RNA)
where:
Base-Base interactions energy: -76.302
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.434
local terms energy: -116.897898
where:
bonds (distance) C4'-P energy: -44.743
bonds (distance) P-C4' energy: -32.444
flat angles C4'-P-C4' energy: -37.656
flat angles P-C4'-P energy: -9.361
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: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -858.117470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.117470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.117470 (E_RNA)
where:
Base-Base interactions energy: -599.268
where: short stacking energy: -266.664
Base-Backbone interact. energy: 0.035
local terms energy: -258.884852
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -57.233
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -74.694
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: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -760.500061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.500061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.500061 (E_RNA)
where:
Base-Base interactions energy: -534.742
where: short stacking energy: -207.067
Base-Backbone interact. energy: -0.617
local terms energy: -225.140870
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -46.790
flat angles C4'-P-C4' energy: -52.220
flat angles P-C4'-P energy: -37.642
tors. eta vs tors. theta energy: -44.134
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: 65
Temperature: 1.000000
Total energy: -701.238319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.238319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.238319 (E_RNA)
where:
Base-Base interactions energy: -496.214
where: short stacking energy: -205.125
Base-Backbone interact. energy: -1.597
local terms energy: -203.427409
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -31.116
flat angles C4'-P-C4' energy: -47.811
flat angles P-C4'-P energy: -29.281
tors. eta vs tors. theta energy: -58.330
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: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -605.675669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.675669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.675669 (E_RNA)
where:
Base-Base interactions energy: -394.226
where: short stacking energy: -168.266
Base-Backbone interact. energy: -1.938
local terms energy: -209.511641
where:
bonds (distance) C4'-P energy: -40.711
bonds (distance) P-C4' energy: -47.295
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -40.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -502.710493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.710493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.710493 (E_RNA)
where:
Base-Base interactions energy: -304.468
where: short stacking energy: -140.187
Base-Backbone interact. energy: -1.580
local terms energy: -196.662609
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -48.645
flat angles C4'-P-C4' energy: -39.854
flat angles P-C4'-P energy: -33.752
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: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -575.649442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.649442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.649442 (E_RNA)
where:
Base-Base interactions energy: -383.640
where: short stacking energy: -172.742
Base-Backbone interact. energy: 1.741
local terms energy: -193.750353
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -42.163
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -20.098
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: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -453.750079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.750079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.750079 (E_RNA)
where:
Base-Base interactions energy: -265.706
where: short stacking energy: -133.379
Base-Backbone interact. energy: -0.975
local terms energy: -187.069150
where:
bonds (distance) C4'-P energy: -43.688
bonds (distance) P-C4' energy: -39.772
flat angles C4'-P-C4' energy: -39.031
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: -34.257
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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -293.801625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.801625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.801625 (E_RNA)
where:
Base-Base interactions energy: -150.267
where: short stacking energy: -92.611
Base-Backbone interact. energy: -1.141
local terms energy: -142.394016
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -43.605
flat angles C4'-P-C4' energy: -34.138
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -214.044913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.044913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.044913 (E_RNA)
where:
Base-Base interactions energy: -79.710
where: short stacking energy: -58.232
Base-Backbone interact. energy: 0.535
local terms energy: -134.869384
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -47.011
flat angles C4'-P-C4' energy: -42.385
flat angles P-C4'-P energy: -21.110
tors. eta vs tors. theta energy: 11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -200.672090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.672090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.672090 (E_RNA)
where:
Base-Base interactions energy: -71.350
where: short stacking energy: -63.453
Base-Backbone interact. energy: 1.681
local terms energy: -131.002739
where:
bonds (distance) C4'-P energy: -41.733
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -35.526
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: 0.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -842.544013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.544013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.544013 (E_RNA)
where:
Base-Base interactions energy: -588.291
where: short stacking energy: -244.269
Base-Backbone interact. energy: -0.305
local terms energy: -253.948304
where:
bonds (distance) C4'-P energy: -44.162
bonds (distance) P-C4' energy: -47.085
flat angles C4'-P-C4' energy: -48.693
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: -77.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -752.407048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.407048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.407048 (E_RNA)
where:
Base-Base interactions energy: -533.607
where: short stacking energy: -235.083
Base-Backbone interact. energy: -1.681
local terms energy: -217.119300
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -42.821
flat angles C4'-P-C4' energy: -47.187
flat angles P-C4'-P energy: -33.839
tors. eta vs tors. theta energy: -58.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -684.436173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.436173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.436173 (E_RNA)
where:
Base-Base interactions energy: -461.828
where: short stacking energy: -189.013
Base-Backbone interact. energy: -1.816
local terms energy: -220.792428
where:
bonds (distance) C4'-P energy: -44.943
bonds (distance) P-C4' energy: -46.676
flat angles C4'-P-C4' energy: -48.257
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -49.391
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: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -610.872119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.872119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.872119 (E_RNA)
where:
Base-Base interactions energy: -393.406
where: short stacking energy: -165.858
Base-Backbone interact. energy: 1.098
local terms energy: -218.563569
where:
bonds (distance) C4'-P energy: -42.639
bonds (distance) P-C4' energy: -43.550
flat angles C4'-P-C4' energy: -47.956
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -50.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -589.564677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.564677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.564677 (E_RNA)
where:
Base-Base interactions energy: -387.412
where: short stacking energy: -172.503
Base-Backbone interact. energy: -1.090
local terms energy: -201.062014
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -41.557
flat angles C4'-P-C4' energy: -49.399
flat angles P-C4'-P energy: -29.270
tors. eta vs tors. theta energy: -43.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -487.054966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.054966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.054966 (E_RNA)
where:
Base-Base interactions energy: -304.959
where: short stacking energy: -142.187
Base-Backbone interact. energy: -0.837
local terms energy: -181.258795
where:
bonds (distance) C4'-P energy: -36.414
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -44.910
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -31.050
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: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -439.696770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.696770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.696770 (E_RNA)
where:
Base-Base interactions energy: -248.153
where: short stacking energy: -124.558
Base-Backbone interact. energy: -0.960
local terms energy: -190.583648
where:
bonds (distance) C4'-P energy: -40.383
bonds (distance) P-C4' energy: -45.082
flat angles C4'-P-C4' energy: -47.440
flat angles P-C4'-P energy: -30.027
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: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -279.313265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.313265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.313265 (E_RNA)
where:
Base-Base interactions energy: -122.580
where: short stacking energy: -73.478
Base-Backbone interact. energy: -0.775
local terms energy: -155.957875
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -52.382
flat angles C4'-P-C4' energy: -43.230
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -210.379381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.379381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.379381 (E_RNA)
where:
Base-Base interactions energy: -80.273
where: short stacking energy: -62.819
Base-Backbone interact. energy: 1.435
local terms energy: -131.541754
where:
bonds (distance) C4'-P energy: -43.650
bonds (distance) P-C4' energy: -38.619
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: 0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -222.430704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.430704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.430704 (E_RNA)
where:
Base-Base interactions energy: -84.512
where: short stacking energy: -68.487
Base-Backbone interact. energy: -2.107
local terms energy: -135.811643
where:
bonds (distance) C4'-P energy: -43.602
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -33.063
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -841.583303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.583303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.583303 (E_RNA)
where:
Base-Base interactions energy: -591.127
where: short stacking energy: -244.642
Base-Backbone interact. energy: -0.085
local terms energy: -250.371513
where:
bonds (distance) C4'-P energy: -42.446
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -59.119
flat angles P-C4'-P energy: -33.534
tors. eta vs tors. theta energy: -73.982
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: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -766.126221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.126221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.126221 (E_RNA)
where:
Base-Base interactions energy: -540.410
where: short stacking energy: -214.461
Base-Backbone interact. energy: -0.555
local terms energy: -225.161170
where:
bonds (distance) C4'-P energy: -48.324
bonds (distance) P-C4' energy: -38.239
flat angles C4'-P-C4' energy: -52.175
flat angles P-C4'-P energy: -32.465
tors. eta vs tors. theta energy: -53.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -674.037711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.037711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.037711 (E_RNA)
where:
Base-Base interactions energy: -471.946
where: short stacking energy: -208.226
Base-Backbone interact. energy: -1.864
local terms energy: -200.228118
where:
bonds (distance) C4'-P energy: -42.851
bonds (distance) P-C4' energy: -35.384
flat angles C4'-P-C4' energy: -43.614
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -45.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -625.849266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.849266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.849266 (E_RNA)
where:
Base-Base interactions energy: -405.403
where: short stacking energy: -195.096
Base-Backbone interact. energy: 0.043
local terms energy: -220.489585
where:
bonds (distance) C4'-P energy: -39.817
bonds (distance) P-C4' energy: -41.829
flat angles C4'-P-C4' energy: -45.150
flat angles P-C4'-P energy: -31.733
tors. eta vs tors. theta energy: -61.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -584.913340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.913340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.913340 (E_RNA)
where:
Base-Base interactions energy: -388.866
where: short stacking energy: -172.785
Base-Backbone interact. energy: -1.404
local terms energy: -194.643255
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -37.291
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: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -456.874142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.874142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.874142 (E_RNA)
where:
Base-Base interactions energy: -278.170
where: short stacking energy: -152.825
Base-Backbone interact. energy: -3.125
local terms energy: -175.579692
where:
bonds (distance) C4'-P energy: -37.848
bonds (distance) P-C4' energy: -43.196
flat angles C4'-P-C4' energy: -34.818
flat angles P-C4'-P energy: -34.208
tors. eta vs tors. theta energy: -25.509
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: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -428.485203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.485203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.485203 (E_RNA)
where:
Base-Base interactions energy: -257.256
where: short stacking energy: -135.416
Base-Backbone interact. energy: -0.563
local terms energy: -170.666176
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -42.468
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -28.685
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: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -218.860704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.860704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.860704 (E_RNA)
where:
Base-Base interactions energy: -86.583
where: short stacking energy: -70.827
Base-Backbone interact. energy: -0.225
local terms energy: -132.052635
where:
bonds (distance) C4'-P energy: -40.008
bonds (distance) P-C4' energy: -41.569
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -23.775
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -214.415781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.415781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.415781 (E_RNA)
where:
Base-Base interactions energy: -90.891
where: short stacking energy: -66.053
Base-Backbone interact. energy: -0.791
local terms energy: -122.734036
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -40.770
flat angles C4'-P-C4' energy: -44.400
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: 4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -232.754514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.754514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.754514 (E_RNA)
where:
Base-Base interactions energy: -108.178
where: short stacking energy: -71.458
Base-Backbone interact. energy: 0.015
local terms energy: -124.591093
where:
bonds (distance) C4'-P energy: -42.840
bonds (distance) P-C4' energy: -36.628
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: 0.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -838.408353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.408353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.408353 (E_RNA)
where:
Base-Base interactions energy: -592.386
where: short stacking energy: -252.533
Base-Backbone interact. energy: -0.719
local terms energy: -245.302784
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -43.595
flat angles C4'-P-C4' energy: -54.101
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -74.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -758.070084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.070084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.070084 (E_RNA)
where:
Base-Base interactions energy: -514.930
where: short stacking energy: -206.475
Base-Backbone interact. energy: -0.825
local terms energy: -242.315318
where:
bonds (distance) C4'-P energy: -44.628
bonds (distance) P-C4' energy: -52.428
flat angles C4'-P-C4' energy: -55.794
flat angles P-C4'-P energy: -31.620
tors. eta vs tors. theta energy: -57.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -690.751274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.751274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.751274 (E_RNA)
where:
Base-Base interactions energy: -480.023
where: short stacking energy: -195.240
Base-Backbone interact. energy: -1.504
local terms energy: -209.223975
where:
bonds (distance) C4'-P energy: -43.913
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -29.492
tors. eta vs tors. theta energy: -47.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -609.805482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.805482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.805482 (E_RNA)
where:
Base-Base interactions energy: -392.924
where: short stacking energy: -171.096
Base-Backbone interact. energy: -0.987
local terms energy: -215.894777
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -30.976
tors. eta vs tors. theta energy: -50.366
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: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -551.299308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.299308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.299308 (E_RNA)
where:
Base-Base interactions energy: -350.522
where: short stacking energy: -155.217
Base-Backbone interact. energy: -0.404
local terms energy: -200.373636
where:
bonds (distance) C4'-P energy: -44.014
bonds (distance) P-C4' energy: -40.459
flat angles C4'-P-C4' energy: -48.286
flat angles P-C4'-P energy: -31.556
tors. eta vs tors. theta energy: -36.059
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: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -450.177975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.177975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.177975 (E_RNA)
where:
Base-Base interactions energy: -278.923
where: short stacking energy: -133.348
Base-Backbone interact. energy: 0.264
local terms energy: -171.518594
where:
bonds (distance) C4'-P energy: -36.358
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -33.334
tors. eta vs tors. theta energy: -33.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -409.062025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.062025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.062025 (E_RNA)
where:
Base-Base interactions energy: -236.593
where: short stacking energy: -110.254
Base-Backbone interact. energy: 1.109
local terms energy: -173.577193
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -43.993
flat angles C4'-P-C4' energy: -49.216
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -217.107016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.107016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.107016 (E_RNA)
where:
Base-Base interactions energy: -70.513
where: short stacking energy: -64.745
Base-Backbone interact. energy: -0.710
local terms energy: -145.884407
where:
bonds (distance) C4'-P energy: -38.827
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -46.501
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: 2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -218.577598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.577598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.577598 (E_RNA)
where:
Base-Base interactions energy: -82.018
where: short stacking energy: -65.258
Base-Backbone interact. energy: -1.035
local terms energy: -135.525187
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -36.293
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -210.492986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.492986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.492986 (E_RNA)
where:
Base-Base interactions energy: -76.628
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.428
local terms energy: -133.437150
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: 8.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -853.064912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.064912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.064912 (E_RNA)
where:
Base-Base interactions energy: -597.867
where: short stacking energy: -241.811
Base-Backbone interact. energy: -0.169
local terms energy: -255.029496
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -51.688
flat angles C4'-P-C4' energy: -53.685
flat angles P-C4'-P energy: -37.258
tors. eta vs tors. theta energy: -72.961
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: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -742.793158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.793158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.793158 (E_RNA)
where:
Base-Base interactions energy: -512.738
where: short stacking energy: -197.378
Base-Backbone interact. energy: -0.833
local terms energy: -229.222730
where:
bonds (distance) C4'-P energy: -43.637
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -36.521
tors. eta vs tors. theta energy: -53.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -671.242934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.242934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.242934 (E_RNA)
where:
Base-Base interactions energy: -467.825
where: short stacking energy: -189.505
Base-Backbone interact. energy: -1.354
local terms energy: -202.063582
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -46.898
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -49.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -616.180009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.180009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.180009 (E_RNA)
where:
Base-Base interactions energy: -414.264
where: short stacking energy: -182.867
Base-Backbone interact. energy: -0.788
local terms energy: -201.127430
where:
bonds (distance) C4'-P energy: -37.435
bonds (distance) P-C4' energy: -42.125
flat angles C4'-P-C4' energy: -46.139
flat angles P-C4'-P energy: -29.348
tors. eta vs tors. theta energy: -46.080
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: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -516.083907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.083907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.083907 (E_RNA)
where:
Base-Base interactions energy: -333.959
where: short stacking energy: -154.176
Base-Backbone interact. energy: -0.959
local terms energy: -181.165089
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -41.691
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -38.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -479.852255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.852255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.852255 (E_RNA)
where:
Base-Base interactions energy: -295.634
where: short stacking energy: -140.281
Base-Backbone interact. energy: 0.634
local terms energy: -184.852771
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -48.719
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -27.325
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -431.526556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.526556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.526556 (E_RNA)
where:
Base-Base interactions energy: -269.013
where: short stacking energy: -119.697
Base-Backbone interact. energy: 0.967
local terms energy: -163.480747
where:
bonds (distance) C4'-P energy: -32.967
bonds (distance) P-C4' energy: -41.422
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -30.700
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -241.687784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.687784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.687784 (E_RNA)
where:
Base-Base interactions energy: -104.544
where: short stacking energy: -84.142
Base-Backbone interact. energy: -0.263
local terms energy: -136.881298
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -34.487
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -213.785981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.785981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.785981 (E_RNA)
where:
Base-Base interactions energy: -71.272
where: short stacking energy: -70.434
Base-Backbone interact. energy: -0.479
local terms energy: -142.034567
where:
bonds (distance) C4'-P energy: -29.879
bonds (distance) P-C4' energy: -32.080
flat angles C4'-P-C4' energy: -43.970
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -213.593375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.593375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593375 (E_RNA)
where:
Base-Base interactions energy: -68.215
where: short stacking energy: -51.161
Base-Backbone interact. energy: 0.574
local terms energy: -145.952391
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -23.295
tors. eta vs tors. theta energy: 4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -852.996380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.996380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.996380 (E_RNA)
where:
Base-Base interactions energy: -599.066
where: short stacking energy: -249.460
Base-Backbone interact. energy: -0.007
local terms energy: -253.923610
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -53.340
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -69.037
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: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -762.963579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.963579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.963579 (E_RNA)
where:
Base-Base interactions energy: -536.446
where: short stacking energy: -208.587
Base-Backbone interact. energy: -1.639
local terms energy: -224.878976
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -49.388
flat angles C4'-P-C4' energy: -52.928
flat angles P-C4'-P energy: -25.219
tors. eta vs tors. theta energy: -52.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -642.399563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.399563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.399563 (E_RNA)
where:
Base-Base interactions energy: -412.393
where: short stacking energy: -210.536
Base-Backbone interact. energy: -1.040
local terms energy: -228.966425
where:
bonds (distance) C4'-P energy: -44.721
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -43.121
flat angles P-C4'-P energy: -34.853
tors. eta vs tors. theta energy: -57.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -648.052083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.052083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.052083 (E_RNA)
where:
Base-Base interactions energy: -437.434
where: short stacking energy: -184.149
Base-Backbone interact. energy: -0.467
local terms energy: -210.151610
where:
bonds (distance) C4'-P energy: -40.040
bonds (distance) P-C4' energy: -48.808
flat angles C4'-P-C4' energy: -42.721
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -50.974
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: 70
Temperature: 1.100000
Total energy: -519.176972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.176972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.176972 (E_RNA)
where:
Base-Base interactions energy: -312.143
where: short stacking energy: -156.820
Base-Backbone interact. energy: -1.816
local terms energy: -205.217495
where:
bonds (distance) C4'-P energy: -48.880
bonds (distance) P-C4' energy: -41.536
flat angles C4'-P-C4' energy: -42.799
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -36.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -481.211850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.211850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.211850 (E_RNA)
where:
Base-Base interactions energy: -284.992
where: short stacking energy: -152.075
Base-Backbone interact. energy: -0.687
local terms energy: -195.532484
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -50.061
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -31.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -446.184044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.184044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.184044 (E_RNA)
where:
Base-Base interactions energy: -288.440
where: short stacking energy: -137.297
Base-Backbone interact. energy: 4.595
local terms energy: -162.339040
where:
bonds (distance) C4'-P energy: -33.859
bonds (distance) P-C4' energy: -37.810
flat angles C4'-P-C4' energy: -45.651
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -27.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -243.396292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.396292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.396292 (E_RNA)
where:
Base-Base interactions energy: -103.544
where: short stacking energy: -96.300
Base-Backbone interact. energy: -2.765
local terms energy: -137.087086
where:
bonds (distance) C4'-P energy: -45.539
bonds (distance) P-C4' energy: -45.498
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -11.631
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -221.542292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.542292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.542292 (E_RNA)
where:
Base-Base interactions energy: -72.430
where: short stacking energy: -62.449
Base-Backbone interact. energy: -0.206
local terms energy: -148.907080
where:
bonds (distance) C4'-P energy: -37.793
bonds (distance) P-C4' energy: -45.220
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -24.969
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: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -223.465498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.465498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.465498 (E_RNA)
where:
Base-Base interactions energy: -79.182
where: short stacking energy: -74.630
Base-Backbone interact. energy: -0.676
local terms energy: -143.607327
where:
bonds (distance) C4'-P energy: -38.112
bonds (distance) P-C4' energy: -38.286
flat angles C4'-P-C4' energy: -43.498
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -861.622581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.622581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.622581 (E_RNA)
where:
Base-Base interactions energy: -602.321
where: short stacking energy: -245.047
Base-Backbone interact. energy: -0.100
local terms energy: -259.201692
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -49.460
flat angles C4'-P-C4' energy: -56.633
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -75.834
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: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -763.854199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.854199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.854199 (E_RNA)
where:
Base-Base interactions energy: -542.516
where: short stacking energy: -213.371
Base-Backbone interact. energy: -1.633
local terms energy: -219.705500
where:
bonds (distance) C4'-P energy: -46.914
bonds (distance) P-C4' energy: -46.945
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -26.030
tors. eta vs tors. theta energy: -52.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -645.498586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.498586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.498586 (E_RNA)
where:
Base-Base interactions energy: -410.447
where: short stacking energy: -212.043
Base-Backbone interact. energy: -0.366
local terms energy: -234.685711
where:
bonds (distance) C4'-P energy: -41.797
bonds (distance) P-C4' energy: -48.449
flat angles C4'-P-C4' energy: -50.280
flat angles P-C4'-P energy: -35.542
tors. eta vs tors. theta energy: -58.618
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: 71
Temperature: 1.050000
Total energy: -663.618670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.618670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.618670 (E_RNA)
where:
Base-Base interactions energy: -432.884
where: short stacking energy: -200.329
Base-Backbone interact. energy: -0.025
local terms energy: -230.709482
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -48.414
flat angles C4'-P-C4' energy: -50.827
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -58.802
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: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -466.905738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.905738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.905738 (E_RNA)
where:
Base-Base interactions energy: -280.101
where: short stacking energy: -172.381
Base-Backbone interact. energy: -0.181
local terms energy: -186.623578
where:
bonds (distance) C4'-P energy: -44.135
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -42.145
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -36.642
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: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -519.049633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.049633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.049633 (E_RNA)
where:
Base-Base interactions energy: -333.369
where: short stacking energy: -155.145
Base-Backbone interact. energy: -0.468
local terms energy: -185.213562
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -41.889
flat angles C4'-P-C4' energy: -41.934
flat angles P-C4'-P energy: -29.065
tors. eta vs tors. theta energy: -33.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -456.936511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.936511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.936511 (E_RNA)
where:
Base-Base interactions energy: -278.704
where: short stacking energy: -132.702
Base-Backbone interact. energy: -0.731
local terms energy: -177.502256
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -46.608
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -25.420
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: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -239.467439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.467439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.467439 (E_RNA)
where:
Base-Base interactions energy: -93.583
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.263
local terms energy: -145.622281
where:
bonds (distance) C4'-P energy: -41.307
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -43.312
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -1.609
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: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -228.375792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.375792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.375792 (E_RNA)
where:
Base-Base interactions energy: -93.073
where: short stacking energy: -76.637
Base-Backbone interact. energy: -0.183
local terms energy: -135.120393
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -10.065
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: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -212.562043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.562043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.562043 (E_RNA)
where:
Base-Base interactions energy: -85.094
where: short stacking energy: -69.290
Base-Backbone interact. energy: 0.940
local terms energy: -128.407747
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -47.364
flat angles C4'-P-C4' energy: -26.093
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -857.528478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.528478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.528478 (E_RNA)
where:
Base-Base interactions energy: -605.854
where: short stacking energy: -255.378
Base-Backbone interact. energy: 1.099
local terms energy: -252.774047
where:
bonds (distance) C4'-P energy: -41.352
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -50.688
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -74.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -760.340868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.340868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.340868 (E_RNA)
where:
Base-Base interactions energy: -539.080
where: short stacking energy: -203.677
Base-Backbone interact. energy: -1.796
local terms energy: -219.464637
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -38.196
flat angles C4'-P-C4' energy: -48.189
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: -56.599
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: 72
Temperature: 1.000000
Total energy: -685.613351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.613351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.613351 (E_RNA)
where:
Base-Base interactions energy: -460.391
where: short stacking energy: -205.023
Base-Backbone interact. energy: 1.490
local terms energy: -226.711756
where:
bonds (distance) C4'-P energy: -46.841
bonds (distance) P-C4' energy: -45.322
flat angles C4'-P-C4' energy: -48.150
flat angles P-C4'-P energy: -30.371
tors. eta vs tors. theta energy: -56.029
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: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -621.514828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.514828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.514828 (E_RNA)
where:
Base-Base interactions energy: -409.416
where: short stacking energy: -188.490
Base-Backbone interact. energy: 1.211
local terms energy: -213.309189
where:
bonds (distance) C4'-P energy: -31.159
bonds (distance) P-C4' energy: -45.865
flat angles C4'-P-C4' energy: -46.207
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -52.810
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: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -558.627463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.627463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.627463 (E_RNA)
where:
Base-Base interactions energy: -360.453
where: short stacking energy: -169.860
Base-Backbone interact. energy: -0.267
local terms energy: -197.907135
where:
bonds (distance) C4'-P energy: -38.249
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -41.261
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: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -481.949466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.949466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.949466 (E_RNA)
where:
Base-Base interactions energy: -311.168
where: short stacking energy: -147.063
Base-Backbone interact. energy: -0.583
local terms energy: -170.198220
where:
bonds (distance) C4'-P energy: -37.000
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -46.173
flat angles P-C4'-P energy: -27.978
tors. eta vs tors. theta energy: -28.258
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: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -357.666466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.666466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.666466 (E_RNA)
where:
Base-Base interactions energy: -208.280
where: short stacking energy: -106.200
Base-Backbone interact. energy: 0.963
local terms energy: -150.349662
where:
bonds (distance) C4'-P energy: -37.697
bonds (distance) P-C4' energy: -43.231
flat angles C4'-P-C4' energy: -37.454
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -266.378426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.378426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.378426 (E_RNA)
where:
Base-Base interactions energy: -121.957
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.894
local terms energy: -143.527831
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -38.941
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -30.840
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: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -224.927844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.927844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.927844 (E_RNA)
where:
Base-Base interactions energy: -84.531
where: short stacking energy: -70.472
Base-Backbone interact. energy: -1.327
local terms energy: -139.069604
where:
bonds (distance) C4'-P energy: -34.893
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -37.639
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -200.690897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.690897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.690897 (E_RNA)
where:
Base-Base interactions energy: -55.604
where: short stacking energy: -37.862
Base-Backbone interact. energy: -1.606
local terms energy: -143.480544
where:
bonds (distance) C4'-P energy: -39.252
bonds (distance) P-C4' energy: -48.166
flat angles C4'-P-C4' energy: -36.446
flat angles P-C4'-P energy: -27.276
tors. eta vs tors. theta energy: 7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -855.240323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.240323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.240323 (E_RNA)
where:
Base-Base interactions energy: -604.906
where: short stacking energy: -259.626
Base-Backbone interact. energy: -0.275
local terms energy: -250.059612
where:
bonds (distance) C4'-P energy: -39.810
bonds (distance) P-C4' energy: -45.996
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: -71.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -762.519149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.519149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.519149 (E_RNA)
where:
Base-Base interactions energy: -533.696
where: short stacking energy: -210.010
Base-Backbone interact. energy: 1.486
local terms energy: -230.309761
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -46.835
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -56.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -683.502235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.502235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.502235 (E_RNA)
where:
Base-Base interactions energy: -465.692
where: short stacking energy: -208.235
Base-Backbone interact. energy: -0.600
local terms energy: -217.210333
where:
bonds (distance) C4'-P energy: -42.823
bonds (distance) P-C4' energy: -41.118
flat angles C4'-P-C4' energy: -51.567
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -56.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -659.748951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.748951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.748951 (E_RNA)
where:
Base-Base interactions energy: -445.607
where: short stacking energy: -212.810
Base-Backbone interact. energy: -2.543
local terms energy: -211.598909
where:
bonds (distance) C4'-P energy: -43.248
bonds (distance) P-C4' energy: -41.329
flat angles C4'-P-C4' energy: -41.984
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -66.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -562.708461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.708461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.708461 (E_RNA)
where:
Base-Base interactions energy: -353.912
where: short stacking energy: -158.500
Base-Backbone interact. energy: -2.211
local terms energy: -206.584834
where:
bonds (distance) C4'-P energy: -37.300
bonds (distance) P-C4' energy: -46.024
flat angles C4'-P-C4' energy: -50.511
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -37.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -476.284689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.284689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.284689 (E_RNA)
where:
Base-Base interactions energy: -295.597
where: short stacking energy: -141.485
Base-Backbone interact. energy: -1.799
local terms energy: -178.888604
where:
bonds (distance) C4'-P energy: -33.472
bonds (distance) P-C4' energy: -45.865
flat angles C4'-P-C4' energy: -47.295
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -24.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -362.346040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.346040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.346040 (E_RNA)
where:
Base-Base interactions energy: -196.404
where: short stacking energy: -111.553
Base-Backbone interact. energy: 1.527
local terms energy: -167.469042
where:
bonds (distance) C4'-P energy: -38.772
bonds (distance) P-C4' energy: -43.434
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -270.749723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.749723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.749723 (E_RNA)
where:
Base-Base interactions energy: -124.332
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.884
local terms energy: -145.533495
where:
bonds (distance) C4'-P energy: -27.608
bonds (distance) P-C4' energy: -41.526
flat angles C4'-P-C4' energy: -34.261
flat angles P-C4'-P energy: -31.582
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -233.873678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.873678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.873678 (E_RNA)
where:
Base-Base interactions energy: -85.549
where: short stacking energy: -84.203
Base-Backbone interact. energy: -0.213
local terms energy: -148.112519
where:
bonds (distance) C4'-P energy: -44.534
bonds (distance) P-C4' energy: -43.233
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -215.297398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.297398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.297398 (E_RNA)
where:
Base-Base interactions energy: -77.188
where: short stacking energy: -69.436
Base-Backbone interact. energy: -0.794
local terms energy: -137.315455
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -38.506
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -836.362820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.362820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.362820 (E_RNA)
where:
Base-Base interactions energy: -587.015
where: short stacking energy: -240.418
Base-Backbone interact. energy: -1.030
local terms energy: -248.317142
where:
bonds (distance) C4'-P energy: -45.391
bonds (distance) P-C4' energy: -43.077
flat angles C4'-P-C4' energy: -51.044
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -74.631
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: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -746.424261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.424261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.424261 (E_RNA)
where:
Base-Base interactions energy: -530.644
where: short stacking energy: -209.256
Base-Backbone interact. energy: -3.187
local terms energy: -212.592954
where:
bonds (distance) C4'-P energy: -39.969
bonds (distance) P-C4' energy: -41.153
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -53.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -697.656387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.656387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.656387 (E_RNA)
where:
Base-Base interactions energy: -481.800
where: short stacking energy: -203.614
Base-Backbone interact. energy: 0.024
local terms energy: -215.880736
where:
bonds (distance) C4'-P energy: -42.170
bonds (distance) P-C4' energy: -42.541
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -52.233
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: 74
Temperature: 1.050000
Total energy: -659.052928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.052928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.052928 (E_RNA)
where:
Base-Base interactions energy: -433.521
where: short stacking energy: -206.279
Base-Backbone interact. energy: 2.547
local terms energy: -228.078355
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -45.681
flat angles C4'-P-C4' energy: -52.758
flat angles P-C4'-P energy: -30.285
tors. eta vs tors. theta energy: -59.256
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: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -571.075002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.075002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.075002 (E_RNA)
where:
Base-Base interactions energy: -374.897
where: short stacking energy: -177.378
Base-Backbone interact. energy: 0.217
local terms energy: -196.394636
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -36.354
flat angles C4'-P-C4' energy: -49.713
flat angles P-C4'-P energy: -30.597
tors. eta vs tors. theta energy: -40.219
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: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -464.702261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.702261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.702261 (E_RNA)
where:
Base-Base interactions energy: -270.851
where: short stacking energy: -140.844
Base-Backbone interact. energy: -1.156
local terms energy: -192.695058
where:
bonds (distance) C4'-P energy: -45.423
bonds (distance) P-C4' energy: -37.852
flat angles C4'-P-C4' energy: -43.976
flat angles P-C4'-P energy: -34.820
tors. eta vs tors. theta energy: -30.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -395.495827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.495827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.495827 (E_RNA)
where:
Base-Base interactions energy: -221.505
where: short stacking energy: -129.241
Base-Backbone interact. energy: 1.620
local terms energy: -175.610859
where:
bonds (distance) C4'-P energy: -41.283
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -40.377
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -28.427
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: 74
Temperature: 1.250000
Total energy: -241.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.741063 (E_RNA)
where:
Base-Base interactions energy: -97.265
where: short stacking energy: -60.796
Base-Backbone interact. energy: 0.420
local terms energy: -144.896055
where:
bonds (distance) C4'-P energy: -34.922
bonds (distance) P-C4' energy: -45.533
flat angles C4'-P-C4' energy: -41.146
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -226.446429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.446429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.446429 (E_RNA)
where:
Base-Base interactions energy: -99.035
where: short stacking energy: -82.184
Base-Backbone interact. energy: -0.419
local terms energy: -126.991636
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -42.043
flat angles P-C4'-P energy: -19.611
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -212.028037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.028037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.028037 (E_RNA)
where:
Base-Base interactions energy: -77.753
where: short stacking energy: -63.576
Base-Backbone interact. energy: -0.955
local terms energy: -133.320247
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -40.317
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -846.035751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.035751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.035751 (E_RNA)
where:
Base-Base interactions energy: -587.704
where: short stacking energy: -235.794
Base-Backbone interact. energy: 0.802
local terms energy: -259.133683
where:
bonds (distance) C4'-P energy: -47.453
bonds (distance) P-C4' energy: -50.451
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: -77.702
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: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -743.079689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.079689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.079689 (E_RNA)
where:
Base-Base interactions energy: -522.672
where: short stacking energy: -199.622
Base-Backbone interact. energy: -1.751
local terms energy: -218.656724
where:
bonds (distance) C4'-P energy: -45.399
bonds (distance) P-C4' energy: -48.875
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -31.024
tors. eta vs tors. theta energy: -43.600
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: 75
Temperature: 1.000000
Total energy: -720.926757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.926757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.926757 (E_RNA)
where:
Base-Base interactions energy: -507.744
where: short stacking energy: -213.888
Base-Backbone interact. energy: -0.987
local terms energy: -212.195376
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -42.511
flat angles C4'-P-C4' energy: -45.208
flat angles P-C4'-P energy: -32.122
tors. eta vs tors. theta energy: -57.517
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: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -621.690311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.690311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.690311 (E_RNA)
where:
Base-Base interactions energy: -400.224
where: short stacking energy: -185.797
Base-Backbone interact. energy: -1.060
local terms energy: -220.405896
where:
bonds (distance) C4'-P energy: -45.084
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -30.196
tors. eta vs tors. theta energy: -42.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -618.537125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.537125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.537125 (E_RNA)
where:
Base-Base interactions energy: -402.111
where: short stacking energy: -180.874
Base-Backbone interact. energy: -1.581
local terms energy: -214.845813
where:
bonds (distance) C4'-P energy: -46.515
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -56.442
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -47.493
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: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -454.096801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.096801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.096801 (E_RNA)
where:
Base-Base interactions energy: -281.660
where: short stacking energy: -125.013
Base-Backbone interact. energy: -2.170
local terms energy: -170.265873
where:
bonds (distance) C4'-P energy: -43.940
bonds (distance) P-C4' energy: -46.108
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -23.111
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: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -381.376244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.376244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.376244 (E_RNA)
where:
Base-Base interactions energy: -220.104
where: short stacking energy: -119.045
Base-Backbone interact. energy: -2.446
local terms energy: -158.826160
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -44.280
flat angles C4'-P-C4' energy: -39.962
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -265.228000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.228000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.228000 (E_RNA)
where:
Base-Base interactions energy: -120.026
where: short stacking energy: -92.530
Base-Backbone interact. energy: 0.527
local terms energy: -145.728647
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -226.310085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.310085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.310085 (E_RNA)
where:
Base-Base interactions energy: -85.429
where: short stacking energy: -74.108
Base-Backbone interact. energy: -0.662
local terms energy: -140.218577
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -36.658
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -197.214432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.214432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.214432 (E_RNA)
where:
Base-Base interactions energy: -72.824
where: short stacking energy: -61.719
Base-Backbone interact. energy: 5.798
local terms energy: -130.188595
where:
bonds (distance) C4'-P energy: -36.540
bonds (distance) P-C4' energy: -49.313
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: 2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -866.817731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.817731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.817731 (E_RNA)
where:
Base-Base interactions energy: -611.242
where: short stacking energy: -257.815
Base-Backbone interact. energy: -0.459
local terms energy: -255.116453
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -55.245
flat angles P-C4'-P energy: -33.953
tors. eta vs tors. theta energy: -76.213
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: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -756.158986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.158986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.158986 (E_RNA)
where:
Base-Base interactions energy: -542.187
where: short stacking energy: -209.597
Base-Backbone interact. energy: -2.240
local terms energy: -211.732250
where:
bonds (distance) C4'-P energy: -42.261
bonds (distance) P-C4' energy: -42.678
flat angles C4'-P-C4' energy: -46.782
flat angles P-C4'-P energy: -28.771
tors. eta vs tors. theta energy: -51.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -732.592705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.592705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.592705 (E_RNA)
where:
Base-Base interactions energy: -510.509
where: short stacking energy: -212.022
Base-Backbone interact. energy: -0.514
local terms energy: -221.570351
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -50.990
flat angles C4'-P-C4' energy: -46.241
flat angles P-C4'-P energy: -28.714
tors. eta vs tors. theta energy: -61.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -627.491305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.491305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.491305 (E_RNA)
where:
Base-Base interactions energy: -412.262
where: short stacking energy: -188.564
Base-Backbone interact. energy: -0.303
local terms energy: -214.926668
where:
bonds (distance) C4'-P energy: -33.074
bonds (distance) P-C4' energy: -47.172
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -55.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -612.567744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.567744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.567744 (E_RNA)
where:
Base-Base interactions energy: -432.808
where: short stacking energy: -171.545
Base-Backbone interact. energy: -2.612
local terms energy: -177.147785
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -38.997
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -34.869
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: 76
Temperature: 1.150000
Total energy: -446.943162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.943162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.943162 (E_RNA)
where:
Base-Base interactions energy: -254.556
where: short stacking energy: -142.967
Base-Backbone interact. energy: 0.833
local terms energy: -193.219874
where:
bonds (distance) C4'-P energy: -40.541
bonds (distance) P-C4' energy: -39.250
flat angles C4'-P-C4' energy: -53.516
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -33.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -342.632847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.632847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.632847 (E_RNA)
where:
Base-Base interactions energy: -194.794
where: short stacking energy: -101.762
Base-Backbone interact. energy: -2.049
local terms energy: -145.790173
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -238.766273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.766273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.766273 (E_RNA)
where:
Base-Base interactions energy: -95.897
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.858
local terms energy: -142.011179
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -26.288
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -226.845317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.845317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.845317 (E_RNA)
where:
Base-Base interactions energy: -95.941
where: short stacking energy: -72.986
Base-Backbone interact. energy: -0.467
local terms energy: -130.437167
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -22.038
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -192.115855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.115855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.115855 (E_RNA)
where:
Base-Base interactions energy: -68.936
where: short stacking energy: -58.252
Base-Backbone interact. energy: -2.100
local terms energy: -121.079479
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -36.143
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: 19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -864.597341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.597341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.597341 (E_RNA)
where:
Base-Base interactions energy: -613.670
where: short stacking energy: -256.411
Base-Backbone interact. energy: -0.052
local terms energy: -250.875619
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -50.406
flat angles C4'-P-C4' energy: -52.493
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -74.426
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: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -742.195723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.195723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.195723 (E_RNA)
where:
Base-Base interactions energy: -528.491
where: short stacking energy: -216.020
Base-Backbone interact. energy: 2.605
local terms energy: -216.310318
where:
bonds (distance) C4'-P energy: -44.719
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -50.890
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -51.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -705.571946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.571946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.571946 (E_RNA)
where:
Base-Base interactions energy: -476.244
where: short stacking energy: -201.046
Base-Backbone interact. energy: 0.422
local terms energy: -229.750346
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -48.633
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -55.937
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: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -619.810771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.810771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.810771 (E_RNA)
where:
Base-Base interactions energy: -401.212
where: short stacking energy: -185.631
Base-Backbone interact. energy: -2.445
local terms energy: -216.154341
where:
bonds (distance) C4'-P energy: -39.316
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -48.811
flat angles P-C4'-P energy: -37.641
tors. eta vs tors. theta energy: -44.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -604.870678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.870678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.870678 (E_RNA)
where:
Base-Base interactions energy: -397.011
where: short stacking energy: -164.302
Base-Backbone interact. energy: -2.017
local terms energy: -205.842502
where:
bonds (distance) C4'-P energy: -47.407
bonds (distance) P-C4' energy: -37.925
flat angles C4'-P-C4' energy: -44.251
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -43.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -450.374292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.374292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.374292 (E_RNA)
where:
Base-Base interactions energy: -261.523
where: short stacking energy: -123.478
Base-Backbone interact. energy: 1.110
local terms energy: -189.961492
where:
bonds (distance) C4'-P energy: -50.123
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -42.562
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -35.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -349.127700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.127700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.127700 (E_RNA)
where:
Base-Base interactions energy: -205.906
where: short stacking energy: -117.417
Base-Backbone interact. energy: 0.161
local terms energy: -143.382589
where:
bonds (distance) C4'-P energy: -33.881
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -30.712
tors. eta vs tors. theta energy: -15.011
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: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -256.570929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.570929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.570929 (E_RNA)
where:
Base-Base interactions energy: -97.819
where: short stacking energy: -86.019
Base-Backbone interact. energy: 0.224
local terms energy: -158.975545
where:
bonds (distance) C4'-P energy: -41.093
bonds (distance) P-C4' energy: -39.588
flat angles C4'-P-C4' energy: -42.532
flat angles P-C4'-P energy: -31.800
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -206.071518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.071518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.071518 (E_RNA)
where:
Base-Base interactions energy: -74.980
where: short stacking energy: -70.865
Base-Backbone interact. energy: -0.883
local terms energy: -130.209156
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -31.415
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -187.907495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.907495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.907495 (E_RNA)
where:
Base-Base interactions energy: -68.539
where: short stacking energy: -65.564
Base-Backbone interact. energy: 0.209
local terms energy: -119.577758
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: 1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -839.396365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.396365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.396365 (E_RNA)
where:
Base-Base interactions energy: -588.061
where: short stacking energy: -243.397
Base-Backbone interact. energy: -0.096
local terms energy: -251.238967
where:
bonds (distance) C4'-P energy: -42.488
bonds (distance) P-C4' energy: -42.508
flat angles C4'-P-C4' energy: -57.424
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -72.432
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: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -743.044279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.044279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.044279 (E_RNA)
where:
Base-Base interactions energy: -522.847
where: short stacking energy: -201.863
Base-Backbone interact. energy: -3.603
local terms energy: -216.593829
where:
bonds (distance) C4'-P energy: -43.731
bonds (distance) P-C4' energy: -45.708
flat angles C4'-P-C4' energy: -45.761
flat angles P-C4'-P energy: -32.363
tors. eta vs tors. theta energy: -49.032
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: 78
Temperature: 1.000000
Total energy: -710.169171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.169171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.169171 (E_RNA)
where:
Base-Base interactions energy: -492.484
where: short stacking energy: -217.640
Base-Backbone interact. energy: 1.790
local terms energy: -219.475636
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -51.581
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -607.203234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.203234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.203234 (E_RNA)
where:
Base-Base interactions energy: -395.632
where: short stacking energy: -177.206
Base-Backbone interact. energy: -2.433
local terms energy: -209.138533
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -42.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -594.991890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.991890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.991890 (E_RNA)
where:
Base-Base interactions energy: -404.296
where: short stacking energy: -168.246
Base-Backbone interact. energy: -1.403
local terms energy: -189.293289
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -40.102
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -36.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -496.557919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.557919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.557919 (E_RNA)
where:
Base-Base interactions energy: -302.571
where: short stacking energy: -140.789
Base-Backbone interact. energy: 0.973
local terms energy: -194.960474
where:
bonds (distance) C4'-P energy: -42.048
bonds (distance) P-C4' energy: -49.229
flat angles C4'-P-C4' energy: -43.145
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: -31.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -338.834554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.834554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.834554 (E_RNA)
where:
Base-Base interactions energy: -187.271
where: short stacking energy: -93.097
Base-Backbone interact. energy: -0.839
local terms energy: -150.724098
where:
bonds (distance) C4'-P energy: -38.050
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -37.351
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -256.460977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.460977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.460977 (E_RNA)
where:
Base-Base interactions energy: -117.356
where: short stacking energy: -70.459
Base-Backbone interact. energy: 1.619
local terms energy: -140.724107
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -45.444
flat angles C4'-P-C4' energy: -38.724
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -231.529116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.529116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.529116 (E_RNA)
where:
Base-Base interactions energy: -79.018
where: short stacking energy: -74.767
Base-Backbone interact. energy: 0.244
local terms energy: -152.755378
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -47.281
flat angles P-C4'-P energy: -24.189
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -202.082699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.082699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.082699 (E_RNA)
where:
Base-Base interactions energy: -77.829
where: short stacking energy: -68.448
Base-Backbone interact. energy: -1.649
local terms energy: -122.605333
where:
bonds (distance) C4'-P energy: -43.627
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: 3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -857.410442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.410442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.410442 (E_RNA)
where:
Base-Base interactions energy: -601.928
where: short stacking energy: -238.264
Base-Backbone interact. energy: -0.926
local terms energy: -254.557028
where:
bonds (distance) C4'-P energy: -48.114
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -52.537
flat angles P-C4'-P energy: -39.458
tors. eta vs tors. theta energy: -69.209
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: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -733.471838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.471838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.471838 (E_RNA)
where:
Base-Base interactions energy: -502.484
where: short stacking energy: -217.839
Base-Backbone interact. energy: -0.832
local terms energy: -230.156162
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -42.442
flat angles C4'-P-C4' energy: -47.943
flat angles P-C4'-P energy: -35.564
tors. eta vs tors. theta energy: -66.076
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: 10
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -768.751230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.751230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.751230 (E_RNA)
where:
Base-Base interactions energy: -553.663
where: short stacking energy: -209.494
Base-Backbone interact. energy: -0.597
local terms energy: -214.491508
where:
bonds (distance) C4'-P energy: -40.868
bonds (distance) P-C4' energy: -42.709
flat angles C4'-P-C4' energy: -43.890
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -61.473
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: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -631.461665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.461665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.461665 (E_RNA)
where:
Base-Base interactions energy: -419.454
where: short stacking energy: -200.204
Base-Backbone interact. energy: -0.054
local terms energy: -211.953657
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -41.439
flat angles C4'-P-C4' energy: -46.297
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -58.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -642.705248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.705248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.705248 (E_RNA)
where:
Base-Base interactions energy: -440.362
where: short stacking energy: -171.948
Base-Backbone interact. energy: 1.008
local terms energy: -203.350582
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: -47.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -481.045695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.045695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.045695 (E_RNA)
where:
Base-Base interactions energy: -290.583
where: short stacking energy: -142.192
Base-Backbone interact. energy: -0.914
local terms energy: -189.548010
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -45.932
flat angles C4'-P-C4' energy: -52.182
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -29.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -411.207861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.207861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.207861 (E_RNA)
where:
Base-Base interactions energy: -261.620
where: short stacking energy: -127.021
Base-Backbone interact. energy: -1.104
local terms energy: -148.483392
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -39.507
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -222.623565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.623565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.623565 (E_RNA)
where:
Base-Base interactions energy: -57.569
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.361
local terms energy: -164.693056
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -48.167
flat angles C4'-P-C4' energy: -39.219
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -223.717010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.717010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.717010 (E_RNA)
where:
Base-Base interactions energy: -99.530
where: short stacking energy: -56.973
Base-Backbone interact. energy: 1.957
local terms energy: -126.143982
where:
bonds (distance) C4'-P energy: -40.779
bonds (distance) P-C4' energy: -46.625
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -234.789088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.789088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.789088 (E_RNA)
where:
Base-Base interactions energy: -89.244
where: short stacking energy: -80.795
Base-Backbone interact. energy: 0.428
local terms energy: -145.973177
where:
bonds (distance) C4'-P energy: -45.608
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -857.767251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.767251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.767251 (E_RNA)
where:
Base-Base interactions energy: -591.706
where: short stacking energy: -231.654
Base-Backbone interact. energy: -1.342
local terms energy: -264.719619
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -55.055
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: -72.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -736.180960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.180960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.180960 (E_RNA)
where:
Base-Base interactions energy: -503.790
where: short stacking energy: -213.243
Base-Backbone interact. energy: -0.115
local terms energy: -232.276253
where:
bonds (distance) C4'-P energy: -47.803
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -47.368
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -63.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -766.543051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.543051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.543051 (E_RNA)
where:
Base-Base interactions energy: -546.733
where: short stacking energy: -226.206
Base-Backbone interact. energy: 3.115
local terms energy: -222.925055
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -37.339
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -56.309
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: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -635.505796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.505796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.505796 (E_RNA)
where:
Base-Base interactions energy: -416.977
where: short stacking energy: -197.784
Base-Backbone interact. energy: -2.752
local terms energy: -215.777261
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -46.147
flat angles P-C4'-P energy: -34.832
tors. eta vs tors. theta energy: -49.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -686.585967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.585967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.585967 (E_RNA)
where:
Base-Base interactions energy: -478.387
where: short stacking energy: -188.945
Base-Backbone interact. energy: 0.857
local terms energy: -209.055027
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -37.219
flat angles C4'-P-C4' energy: -45.183
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -60.178
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: 80
Temperature: 1.150000
Total energy: -454.190049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.190049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.190049 (E_RNA)
where:
Base-Base interactions energy: -271.483
where: short stacking energy: -141.966
Base-Backbone interact. energy: -0.798
local terms energy: -181.908467
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -47.475
flat angles C4'-P-C4' energy: -45.848
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -27.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -416.503460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.503460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.503460 (E_RNA)
where:
Base-Base interactions energy: -245.383
where: short stacking energy: -107.308
Base-Backbone interact. energy: -0.987
local terms energy: -170.133379
where:
bonds (distance) C4'-P energy: -41.931
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -40.297
flat angles P-C4'-P energy: -28.593
tors. eta vs tors. theta energy: -18.498
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: 80
Temperature: 1.250000
Total energy: -253.526305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.526305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.526305 (E_RNA)
where:
Base-Base interactions energy: -88.691
where: short stacking energy: -69.049
Base-Backbone interact. energy: -0.996
local terms energy: -163.838669
where:
bonds (distance) C4'-P energy: -39.808
bonds (distance) P-C4' energy: -51.397
flat angles C4'-P-C4' energy: -38.452
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -8.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -275.642853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.642853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.642853 (E_RNA)
where:
Base-Base interactions energy: -133.060
where: short stacking energy: -86.292
Base-Backbone interact. energy: 1.258
local terms energy: -143.840028
where:
bonds (distance) C4'-P energy: -41.874
bonds (distance) P-C4' energy: -40.923
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -213.909687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.909687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.909687 (E_RNA)
where:
Base-Base interactions energy: -71.396
where: short stacking energy: -64.227
Base-Backbone interact. energy: 3.109
local terms energy: -145.622932
where:
bonds (distance) C4'-P energy: -42.796
bonds (distance) P-C4' energy: -43.080
flat angles C4'-P-C4' energy: -34.002
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -843.544014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.544014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.544014 (E_RNA)
where:
Base-Base interactions energy: -588.648
where: short stacking energy: -251.454
Base-Backbone interact. energy: -0.960
local terms energy: -253.935733
where:
bonds (distance) C4'-P energy: -46.945
bonds (distance) P-C4' energy: -48.856
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -33.403
tors. eta vs tors. theta energy: -69.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -774.014750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.014750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.014750 (E_RNA)
where:
Base-Base interactions energy: -543.537
where: short stacking energy: -210.598
Base-Backbone interact. energy: 0.766
local terms energy: -231.243371
where:
bonds (distance) C4'-P energy: -49.102
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -52.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -712.043890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.043890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.043890 (E_RNA)
where:
Base-Base interactions energy: -489.839
where: short stacking energy: -206.582
Base-Backbone interact. energy: -0.268
local terms energy: -221.937195
where:
bonds (distance) C4'-P energy: -42.744
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -41.664
flat angles P-C4'-P energy: -33.146
tors. eta vs tors. theta energy: -53.683
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: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -730.218958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.218958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.218958 (E_RNA)
where:
Base-Base interactions energy: -498.726
where: short stacking energy: -209.028
Base-Backbone interact. energy: -2.713
local terms energy: -228.780372
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -56.713
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -58.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -617.235809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.235809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.235809 (E_RNA)
where:
Base-Base interactions energy: -403.657
where: short stacking energy: -192.278
Base-Backbone interact. energy: -0.375
local terms energy: -213.203831
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -53.355
flat angles C4'-P-C4' energy: -49.936
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -51.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -455.920351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.920351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.920351 (E_RNA)
where:
Base-Base interactions energy: -282.354
where: short stacking energy: -135.767
Base-Backbone interact. energy: -1.038
local terms energy: -172.527566
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -46.873
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -29.282
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: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -438.196911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.196911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.196911 (E_RNA)
where:
Base-Base interactions energy: -251.040
where: short stacking energy: -123.500
Base-Backbone interact. energy: 0.107
local terms energy: -187.264446
where:
bonds (distance) C4'-P energy: -41.917
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -286.185432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.185432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.185432 (E_RNA)
where:
Base-Base interactions energy: -130.411
where: short stacking energy: -81.292
Base-Backbone interact. energy: 0.881
local terms energy: -156.654860
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -43.771
flat angles C4'-P-C4' energy: -46.185
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -215.061727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.061727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.061727 (E_RNA)
where:
Base-Base interactions energy: -86.836
where: short stacking energy: -77.758
Base-Backbone interact. energy: -0.464
local terms energy: -127.761769
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -33.825
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -195.296141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.296141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.296141 (E_RNA)
where:
Base-Base interactions energy: -64.588
where: short stacking energy: -58.809
Base-Backbone interact. energy: 0.357
local terms energy: -131.065152
where:
bonds (distance) C4'-P energy: -34.046
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -45.578
flat angles P-C4'-P energy: -22.930
tors. eta vs tors. theta energy: 10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -854.492051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.492051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.492051 (E_RNA)
where:
Base-Base interactions energy: -598.520
where: short stacking energy: -258.131
Base-Backbone interact. energy: -0.269
local terms energy: -255.702996
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -53.643
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: -74.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -773.790229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.790229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.790229 (E_RNA)
where:
Base-Base interactions energy: -559.328
where: short stacking energy: -213.581
Base-Backbone interact. energy: -1.858
local terms energy: -212.603849
where:
bonds (distance) C4'-P energy: -41.992
bonds (distance) P-C4' energy: -41.138
flat angles C4'-P-C4' energy: -49.766
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: -48.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -729.092066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.092066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.092066 (E_RNA)
where:
Base-Base interactions energy: -492.358
where: short stacking energy: -217.655
Base-Backbone interact. energy: -1.212
local terms energy: -235.521966
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -30.492
tors. eta vs tors. theta energy: -65.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -701.286696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.286696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.286696 (E_RNA)
where:
Base-Base interactions energy: -465.595
where: short stacking energy: -205.752
Base-Backbone interact. energy: -1.360
local terms energy: -234.331740
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -45.480
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -38.872
tors. eta vs tors. theta energy: -58.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -599.758233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.758233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.758233 (E_RNA)
where:
Base-Base interactions energy: -401.307
where: short stacking energy: -187.009
Base-Backbone interact. energy: -0.104
local terms energy: -198.347301
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -44.920
flat angles C4'-P-C4' energy: -39.059
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -56.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -442.945890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.945890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.945890 (E_RNA)
where:
Base-Base interactions energy: -269.230
where: short stacking energy: -138.099
Base-Backbone interact. energy: -2.483
local terms energy: -171.232486
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -43.089
flat angles C4'-P-C4' energy: -37.366
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: -32.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -441.715682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.715682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.715682 (E_RNA)
where:
Base-Base interactions energy: -274.662
where: short stacking energy: -128.553
Base-Backbone interact. energy: -0.369
local terms energy: -166.684644
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -48.701
flat angles C4'-P-C4' energy: -34.077
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -19.852
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: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -313.258396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.258396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.258396 (E_RNA)
where:
Base-Base interactions energy: -165.439
where: short stacking energy: -96.855
Base-Backbone interact. energy: 0.533
local terms energy: -148.351975
where:
bonds (distance) C4'-P energy: -30.586
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -236.252621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.252621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.252621 (E_RNA)
where:
Base-Base interactions energy: -103.894
where: short stacking energy: -85.481
Base-Backbone interact. energy: 2.364
local terms energy: -134.721837
where:
bonds (distance) C4'-P energy: -41.162
bonds (distance) P-C4' energy: -35.516
flat angles C4'-P-C4' energy: -42.888
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -4.483
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: 82
Temperature: 1.350000
Total energy: -204.831412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.831412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.831412 (E_RNA)
where:
Base-Base interactions energy: -79.909
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.024
local terms energy: -124.897829
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -848.673949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.673949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.673949 (E_RNA)
where:
Base-Base interactions energy: -601.826
where: short stacking energy: -236.039
Base-Backbone interact. energy: -0.636
local terms energy: -246.211488
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -51.614
flat angles C4'-P-C4' energy: -48.153
flat angles P-C4'-P energy: -37.877
tors. eta vs tors. theta energy: -70.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -741.972691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.972691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.972691 (E_RNA)
where:
Base-Base interactions energy: -512.194
where: short stacking energy: -225.627
Base-Backbone interact. energy: 0.728
local terms energy: -230.506560
where:
bonds (distance) C4'-P energy: -45.109
bonds (distance) P-C4' energy: -41.863
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -71.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -776.115558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.115558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.115558 (E_RNA)
where:
Base-Base interactions energy: -568.065
where: short stacking energy: -213.112
Base-Backbone interact. energy: -0.738
local terms energy: -207.312471
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -36.910
flat angles C4'-P-C4' energy: -49.939
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -50.131
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: 83
Temperature: 1.050000
Total energy: -687.504818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.504818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.504818 (E_RNA)
where:
Base-Base interactions energy: -468.073
where: short stacking energy: -201.837
Base-Backbone interact. energy: -1.572
local terms energy: -217.860037
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -38.298
flat angles C4'-P-C4' energy: -52.760
flat angles P-C4'-P energy: -30.838
tors. eta vs tors. theta energy: -57.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -591.574184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.574184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.574184 (E_RNA)
where:
Base-Base interactions energy: -384.735
where: short stacking energy: -184.254
Base-Backbone interact. energy: -0.738
local terms energy: -206.101188
where:
bonds (distance) C4'-P energy: -40.948
bonds (distance) P-C4' energy: -41.247
flat angles C4'-P-C4' energy: -45.634
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -50.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -460.215393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.215393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.215393 (E_RNA)
where:
Base-Base interactions energy: -266.884
where: short stacking energy: -142.497
Base-Backbone interact. energy: -0.597
local terms energy: -192.734169
where:
bonds (distance) C4'-P energy: -43.325
bonds (distance) P-C4' energy: -41.549
flat angles C4'-P-C4' energy: -43.510
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -37.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -420.561588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.561588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.561588 (E_RNA)
where:
Base-Base interactions energy: -247.995
where: short stacking energy: -137.094
Base-Backbone interact. energy: 0.808
local terms energy: -173.374771
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -43.649
flat angles C4'-P-C4' energy: -41.430
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -29.656
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: 4
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -350.406109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.406109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.406109 (E_RNA)
where:
Base-Base interactions energy: -171.407
where: short stacking energy: -103.285
Base-Backbone interact. energy: -0.404
local terms energy: -178.594261
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -43.122
flat angles C4'-P-C4' energy: -42.191
flat angles P-C4'-P energy: -26.260
tors. eta vs tors. theta energy: -25.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -226.370277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.370277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.370277 (E_RNA)
where:
Base-Base interactions energy: -86.144
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.670
local terms energy: -139.556099
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -198.718020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.718020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.718020 (E_RNA)
where:
Base-Base interactions energy: -76.914
where: short stacking energy: -67.422
Base-Backbone interact. energy: 1.072
local terms energy: -122.876849
where:
bonds (distance) C4'-P energy: -42.019
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -861.232670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.232670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.232670 (E_RNA)
where:
Base-Base interactions energy: -606.202
where: short stacking energy: -226.807
Base-Backbone interact. energy: -0.033
local terms energy: -254.998315
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -45.966
flat angles C4'-P-C4' energy: -56.217
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -71.475
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: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -743.067472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.067472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.067472 (E_RNA)
where:
Base-Base interactions energy: -510.332
where: short stacking energy: -213.148
Base-Backbone interact. energy: -4.147
local terms energy: -228.588409
where:
bonds (distance) C4'-P energy: -46.948
bonds (distance) P-C4' energy: -33.693
flat angles C4'-P-C4' energy: -56.012
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -58.078
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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -755.485033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.485033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.485033 (E_RNA)
where:
Base-Base interactions energy: -532.257
where: short stacking energy: -208.565
Base-Backbone interact. energy: -0.169
local terms energy: -223.058392
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -35.928
flat angles C4'-P-C4' energy: -49.592
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -57.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -694.088243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.088243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.088243 (E_RNA)
where:
Base-Base interactions energy: -474.657
where: short stacking energy: -205.155
Base-Backbone interact. energy: -0.486
local terms energy: -218.944558
where:
bonds (distance) C4'-P energy: -42.788
bonds (distance) P-C4' energy: -39.158
flat angles C4'-P-C4' energy: -51.222
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -60.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -638.856818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.856818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.856818 (E_RNA)
where:
Base-Base interactions energy: -415.802
where: short stacking energy: -197.922
Base-Backbone interact. energy: -1.127
local terms energy: -221.927941
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -48.683
flat angles C4'-P-C4' energy: -47.075
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -50.797
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: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -457.910715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.910715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.910715 (E_RNA)
where:
Base-Base interactions energy: -281.704
where: short stacking energy: -135.407
Base-Backbone interact. energy: -1.344
local terms energy: -174.861830
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -37.937
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -30.324
tors. eta vs tors. theta energy: -31.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -445.075228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.075228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.075228 (E_RNA)
where:
Base-Base interactions energy: -287.641
where: short stacking energy: -131.747
Base-Backbone interact. energy: -0.526
local terms energy: -156.907916
where:
bonds (distance) C4'-P energy: -30.564
bonds (distance) P-C4' energy: -41.096
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -26.644
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: 4
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -293.813911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.813911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.813911 (E_RNA)
where:
Base-Base interactions energy: -143.379
where: short stacking energy: -89.858
Base-Backbone interact. energy: -0.533
local terms energy: -149.901851
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -224.881069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.881069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.881069 (E_RNA)
where:
Base-Base interactions energy: -87.501
where: short stacking energy: -83.448
Base-Backbone interact. energy: 0.531
local terms energy: -137.910841
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -23.439
tors. eta vs tors. theta energy: 1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -213.753635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.753635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.753635 (E_RNA)
where:
Base-Base interactions energy: -78.308
where: short stacking energy: -71.792
Base-Backbone interact. energy: -0.378
local terms energy: -135.067776
where:
bonds (distance) C4'-P energy: -43.008
bonds (distance) P-C4' energy: -42.865
flat angles C4'-P-C4' energy: -26.009
flat angles P-C4'-P energy: -21.032
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -836.362229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.362229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.362229 (E_RNA)
where:
Base-Base interactions energy: -579.341
where: short stacking energy: -239.293
Base-Backbone interact. energy: -0.361
local terms energy: -256.660674
where:
bonds (distance) C4'-P energy: -45.114
bonds (distance) P-C4' energy: -55.300
flat angles C4'-P-C4' energy: -55.634
flat angles P-C4'-P energy: -32.756
tors. eta vs tors. theta energy: -67.856
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: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -754.074151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.074151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.074151 (E_RNA)
where:
Base-Base interactions energy: -519.337
where: short stacking energy: -203.699
Base-Backbone interact. energy: -1.235
local terms energy: -233.502375
where:
bonds (distance) C4'-P energy: -40.015
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -49.433
flat angles P-C4'-P energy: -39.346
tors. eta vs tors. theta energy: -55.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -742.000841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.000841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.000841 (E_RNA)
where:
Base-Base interactions energy: -508.666
where: short stacking energy: -220.607
Base-Backbone interact. energy: -3.406
local terms energy: -229.929045
where:
bonds (distance) C4'-P energy: -36.511
bonds (distance) P-C4' energy: -45.382
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -65.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -697.701290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.701290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.701290 (E_RNA)
where:
Base-Base interactions energy: -482.999
where: short stacking energy: -193.670
Base-Backbone interact. energy: -1.274
local terms energy: -213.428393
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -41.049
flat angles C4'-P-C4' energy: -47.036
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -51.702
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: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -607.913883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.913883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.913883 (E_RNA)
where:
Base-Base interactions energy: -399.409
where: short stacking energy: -189.231
Base-Backbone interact. energy: -1.016
local terms energy: -207.488350
where:
bonds (distance) C4'-P energy: -41.822
bonds (distance) P-C4' energy: -36.459
flat angles C4'-P-C4' energy: -44.753
flat angles P-C4'-P energy: -32.166
tors. eta vs tors. theta energy: -52.289
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: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -456.345988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.345988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.345988 (E_RNA)
where:
Base-Base interactions energy: -280.215
where: short stacking energy: -142.591
Base-Backbone interact. energy: -0.931
local terms energy: -175.199503
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -45.635
flat angles C4'-P-C4' energy: -31.293
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -37.211
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: 85
Temperature: 1.200000
Total energy: -390.559736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.559736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.559736 (E_RNA)
where:
Base-Base interactions energy: -242.286
where: short stacking energy: -122.010
Base-Backbone interact. energy: -0.075
local terms energy: -148.197896
where:
bonds (distance) C4'-P energy: -31.534
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -311.904917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.904917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.904917 (E_RNA)
where:
Base-Base interactions energy: -164.950
where: short stacking energy: -99.357
Base-Backbone interact. energy: -1.365
local terms energy: -145.589825
where:
bonds (distance) C4'-P energy: -32.114
bonds (distance) P-C4' energy: -36.638
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -211.142276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.142276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.142276 (E_RNA)
where:
Base-Base interactions energy: -71.892
where: short stacking energy: -61.010
Base-Backbone interact. energy: 0.459
local terms energy: -139.708873
where:
bonds (distance) C4'-P energy: -43.654
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -27.250
flat angles P-C4'-P energy: -28.507
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -219.082635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.082635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.082635 (E_RNA)
where:
Base-Base interactions energy: -85.117
where: short stacking energy: -68.082
Base-Backbone interact. energy: -0.398
local terms energy: -133.566986
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -35.128
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: 3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -836.791388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.791388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.791388 (E_RNA)
where:
Base-Base interactions energy: -592.821
where: short stacking energy: -241.598
Base-Backbone interact. energy: -0.198
local terms energy: -243.772961
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -43.830
flat angles C4'-P-C4' energy: -48.956
flat angles P-C4'-P energy: -37.022
tors. eta vs tors. theta energy: -66.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -753.269735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.269735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.269735 (E_RNA)
where:
Base-Base interactions energy: -534.334
where: short stacking energy: -214.928
Base-Backbone interact. energy: -0.487
local terms energy: -218.447931
where:
bonds (distance) C4'-P energy: -41.463
bonds (distance) P-C4' energy: -46.639
flat angles C4'-P-C4' energy: -41.765
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -53.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -721.794343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.794343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.794343 (E_RNA)
where:
Base-Base interactions energy: -500.891
where: short stacking energy: -212.555
Base-Backbone interact. energy: -0.246
local terms energy: -220.657586
where:
bonds (distance) C4'-P energy: -38.184
bonds (distance) P-C4' energy: -44.355
flat angles C4'-P-C4' energy: -49.546
flat angles P-C4'-P energy: -31.382
tors. eta vs tors. theta energy: -57.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -747.613629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.613629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.613629 (E_RNA)
where:
Base-Base interactions energy: -516.497
where: short stacking energy: -219.558
Base-Backbone interact. energy: -1.531
local terms energy: -229.585787
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -43.736
flat angles C4'-P-C4' energy: -49.757
flat angles P-C4'-P energy: -29.654
tors. eta vs tors. theta energy: -72.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -606.875402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.875402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.875402 (E_RNA)
where:
Base-Base interactions energy: -400.383
where: short stacking energy: -181.782
Base-Backbone interact. energy: -0.600
local terms energy: -205.892557
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -46.302
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -47.728
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: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -469.999320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.999320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.999320 (E_RNA)
where:
Base-Base interactions energy: -300.706
where: short stacking energy: -142.739
Base-Backbone interact. energy: -0.826
local terms energy: -168.467289
where:
bonds (distance) C4'-P energy: -45.801
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -40.258
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -22.774
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: 86
Temperature: 1.200000
Total energy: -380.647483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.647483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.647483 (E_RNA)
where:
Base-Base interactions energy: -208.506
where: short stacking energy: -89.919
Base-Backbone interact. energy: 1.671
local terms energy: -173.813231
where:
bonds (distance) C4'-P energy: -42.185
bonds (distance) P-C4' energy: -48.524
flat angles C4'-P-C4' energy: -49.349
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -336.864756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.864756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.864756 (E_RNA)
where:
Base-Base interactions energy: -166.072
where: short stacking energy: -110.377
Base-Backbone interact. energy: 0.316
local terms energy: -171.108652
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -42.693
flat angles C4'-P-C4' energy: -43.483
flat angles P-C4'-P energy: -27.355
tors. eta vs tors. theta energy: -14.864
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: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -228.812206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.812206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.812206 (E_RNA)
where:
Base-Base interactions energy: -86.132
where: short stacking energy: -86.332
Base-Backbone interact. energy: -1.394
local terms energy: -141.286372
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -35.576
flat angles P-C4'-P energy: -19.238
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -203.489085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.489085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.489085 (E_RNA)
where:
Base-Base interactions energy: -64.267
where: short stacking energy: -53.053
Base-Backbone interact. energy: 0.104
local terms energy: -139.326183
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: 3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -848.430944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.430944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.430944 (E_RNA)
where:
Base-Base interactions energy: -591.333
where: short stacking energy: -237.000
Base-Backbone interact. energy: -0.174
local terms energy: -256.924422
where:
bonds (distance) C4'-P energy: -45.249
bonds (distance) P-C4' energy: -48.414
flat angles C4'-P-C4' energy: -51.189
flat angles P-C4'-P energy: -38.205
tors. eta vs tors. theta energy: -73.867
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: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -746.224397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.224397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.224397 (E_RNA)
where:
Base-Base interactions energy: -516.140
where: short stacking energy: -221.189
Base-Backbone interact. energy: 2.365
local terms energy: -232.448638
where:
bonds (distance) C4'-P energy: -47.124
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -57.218
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: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -762.393042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.393042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.393042 (E_RNA)
where:
Base-Base interactions energy: -540.750
where: short stacking energy: -207.520
Base-Backbone interact. energy: -1.803
local terms energy: -219.839746
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -45.784
flat angles C4'-P-C4' energy: -47.659
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -58.098
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: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -736.724156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.724156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.724156 (E_RNA)
where:
Base-Base interactions energy: -497.748
where: short stacking energy: -219.009
Base-Backbone interact. energy: 0.352
local terms energy: -239.328339
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -44.369
flat angles C4'-P-C4' energy: -47.782
flat angles P-C4'-P energy: -29.187
tors. eta vs tors. theta energy: -67.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -590.803927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.803927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.803927 (E_RNA)
where:
Base-Base interactions energy: -371.167
where: short stacking energy: -172.279
Base-Backbone interact. energy: 2.283
local terms energy: -221.919740
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: -54.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -477.088231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.088231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.088231 (E_RNA)
where:
Base-Base interactions energy: -269.714
where: short stacking energy: -150.668
Base-Backbone interact. energy: -0.401
local terms energy: -206.973321
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -53.183
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -35.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -351.564845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.564845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.564845 (E_RNA)
where:
Base-Base interactions energy: -180.648
where: short stacking energy: -104.600
Base-Backbone interact. energy: -0.788
local terms energy: -170.128827
where:
bonds (distance) C4'-P energy: -39.530
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -47.639
flat angles P-C4'-P energy: -25.608
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -369.803433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.803433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.803433 (E_RNA)
where:
Base-Base interactions energy: -216.856
where: short stacking energy: -122.336
Base-Backbone interact. energy: -0.393
local terms energy: -152.554599
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -42.826
flat angles C4'-P-C4' energy: -40.162
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -236.121122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.121122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.121122 (E_RNA)
where:
Base-Base interactions energy: -80.118
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.716
local terms energy: -155.286348
where:
bonds (distance) C4'-P energy: -45.905
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -42.262
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: 5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -200.812242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.812242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.812242 (E_RNA)
where:
Base-Base interactions energy: -81.307
where: short stacking energy: -62.215
Base-Backbone interact. energy: -0.380
local terms energy: -119.125300
where:
bonds (distance) C4'-P energy: -28.420
bonds (distance) P-C4' energy: -42.518
flat angles C4'-P-C4' energy: -33.530
flat angles P-C4'-P energy: -23.255
tors. eta vs tors. theta energy: 8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -853.866574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.866574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.866574 (E_RNA)
where:
Base-Base interactions energy: -619.389
where: short stacking energy: -239.863
Base-Backbone interact. energy: -0.534
local terms energy: -233.943510
where:
bonds (distance) C4'-P energy: -40.645
bonds (distance) P-C4' energy: -47.349
flat angles C4'-P-C4' energy: -46.727
flat angles P-C4'-P energy: -32.808
tors. eta vs tors. theta energy: -66.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -747.878106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.878106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.878106 (E_RNA)
where:
Base-Base interactions energy: -516.889
where: short stacking energy: -205.610
Base-Backbone interact. energy: -0.852
local terms energy: -230.137165
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -44.587
flat angles C4'-P-C4' energy: -46.861
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -51.058
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: 88
Temperature: 1.000000
Total energy: -744.738172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.738172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.738172 (E_RNA)
where:
Base-Base interactions energy: -503.338
where: short stacking energy: -214.575
Base-Backbone interact. energy: 0.151
local terms energy: -241.551005
where:
bonds (distance) C4'-P energy: -41.017
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -48.605
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -69.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -728.731223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.731223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.731223 (E_RNA)
where:
Base-Base interactions energy: -522.774
where: short stacking energy: -201.854
Base-Backbone interact. energy: -1.601
local terms energy: -204.355601
where:
bonds (distance) C4'-P energy: -38.340
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -27.971
tors. eta vs tors. theta energy: -52.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -622.151906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.151906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.151906 (E_RNA)
where:
Base-Base interactions energy: -413.724
where: short stacking energy: -196.502
Base-Backbone interact. energy: -0.414
local terms energy: -208.013536
where:
bonds (distance) C4'-P energy: -42.085
bonds (distance) P-C4' energy: -40.489
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -62.954
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: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -452.963996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.963996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.963996 (E_RNA)
where:
Base-Base interactions energy: -285.094
where: short stacking energy: -154.354
Base-Backbone interact. energy: -1.051
local terms energy: -166.818950
where:
bonds (distance) C4'-P energy: -44.832
bonds (distance) P-C4' energy: -24.552
flat angles C4'-P-C4' energy: -42.475
flat angles P-C4'-P energy: -19.691
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: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -372.586567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.586567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.586567 (E_RNA)
where:
Base-Base interactions energy: -210.501
where: short stacking energy: -103.431
Base-Backbone interact. energy: -0.558
local terms energy: -161.527749
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -45.783
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -350.567481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.567481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.567481 (E_RNA)
where:
Base-Base interactions energy: -194.929
where: short stacking energy: -103.275
Base-Backbone interact. energy: -0.028
local terms energy: -155.610944
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -47.927
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -237.753337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.753337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.753337 (E_RNA)
where:
Base-Base interactions energy: -90.253
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.448
local terms energy: -147.052163
where:
bonds (distance) C4'-P energy: -38.877
bonds (distance) P-C4' energy: -39.296
flat angles C4'-P-C4' energy: -39.573
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -202.829907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.829907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.829907 (E_RNA)
where:
Base-Base interactions energy: -73.921
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.448
local terms energy: -128.460741
where:
bonds (distance) C4'-P energy: -35.394
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -27.032
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -853.539728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.539728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.539728 (E_RNA)
where:
Base-Base interactions energy: -598.445
where: short stacking energy: -253.235
Base-Backbone interact. energy: 0.438
local terms energy: -255.532123
where:
bonds (distance) C4'-P energy: -48.505
bonds (distance) P-C4' energy: -48.695
flat angles C4'-P-C4' energy: -49.769
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -72.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -748.479485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.479485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.479485 (E_RNA)
where:
Base-Base interactions energy: -516.986
where: short stacking energy: -207.322
Base-Backbone interact. energy: 0.463
local terms energy: -231.956297
where:
bonds (distance) C4'-P energy: -46.288
bonds (distance) P-C4' energy: -38.397
flat angles C4'-P-C4' energy: -51.538
flat angles P-C4'-P energy: -32.786
tors. eta vs tors. theta energy: -62.947
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: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -734.294195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.294195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.294195 (E_RNA)
where:
Base-Base interactions energy: -494.109
where: short stacking energy: -219.003
Base-Backbone interact. energy: -3.084
local terms energy: -237.100588
where:
bonds (distance) C4'-P energy: -43.098
bonds (distance) P-C4' energy: -40.298
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -33.021
tors. eta vs tors. theta energy: -68.045
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: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -732.027718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.027718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.027718 (E_RNA)
where:
Base-Base interactions energy: -506.353
where: short stacking energy: -195.977
Base-Backbone interact. energy: -1.045
local terms energy: -224.629509
where:
bonds (distance) C4'-P energy: -46.642
bonds (distance) P-C4' energy: -47.525
flat angles C4'-P-C4' energy: -45.004
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: -51.636
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: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -619.981910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.981910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.981910 (E_RNA)
where:
Base-Base interactions energy: -410.179
where: short stacking energy: -193.890
Base-Backbone interact. energy: -0.925
local terms energy: -208.877716
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -38.075
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: -57.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -444.746875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.746875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.746875 (E_RNA)
where:
Base-Base interactions energy: -267.109
where: short stacking energy: -147.538
Base-Backbone interact. energy: 1.377
local terms energy: -179.014657
where:
bonds (distance) C4'-P energy: -35.901
bonds (distance) P-C4' energy: -41.789
flat angles C4'-P-C4' energy: -37.852
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -33.548
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: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -362.135825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.135825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.135825 (E_RNA)
where:
Base-Base interactions energy: -192.181
where: short stacking energy: -113.747
Base-Backbone interact. energy: -0.022
local terms energy: -169.932313
where:
bonds (distance) C4'-P energy: -35.270
bonds (distance) P-C4' energy: -42.935
flat angles C4'-P-C4' energy: -42.858
flat angles P-C4'-P energy: -27.579
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -345.178454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.178454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.178454 (E_RNA)
where:
Base-Base interactions energy: -196.963
where: short stacking energy: -108.644
Base-Backbone interact. energy: 1.540
local terms energy: -149.755522
where:
bonds (distance) C4'-P energy: -40.230
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -31.286
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -240.599626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.599626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.599626 (E_RNA)
where:
Base-Base interactions energy: -111.127
where: short stacking energy: -95.646
Base-Backbone interact. energy: 0.594
local terms energy: -130.066485
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -46.487
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -20.970
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -186.728205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.728205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.728205 (E_RNA)
where:
Base-Base interactions energy: -56.681
where: short stacking energy: -53.555
Base-Backbone interact. energy: -1.714
local terms energy: -128.333492
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -38.889
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: 7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -859.718397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.718397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.718397 (E_RNA)
where:
Base-Base interactions energy: -599.511
where: short stacking energy: -241.810
Base-Backbone interact. energy: 0.135
local terms energy: -260.342441
where:
bonds (distance) C4'-P energy: -47.076
bonds (distance) P-C4' energy: -46.898
flat angles C4'-P-C4' energy: -57.595
flat angles P-C4'-P energy: -36.711
tors. eta vs tors. theta energy: -72.063
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: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -745.881894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.881894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.881894 (E_RNA)
where:
Base-Base interactions energy: -513.515
where: short stacking energy: -219.354
Base-Backbone interact. energy: -1.221
local terms energy: -231.145940
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -48.172
flat angles C4'-P-C4' energy: -52.696
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -58.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -765.240542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.240542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.240542 (E_RNA)
where:
Base-Base interactions energy: -543.901
where: short stacking energy: -217.755
Base-Backbone interact. energy: 1.105
local terms energy: -222.444220
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -41.674
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -38.673
tors. eta vs tors. theta energy: -53.966
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: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -687.745741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.745741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.745741 (E_RNA)
where:
Base-Base interactions energy: -462.699
where: short stacking energy: -199.699
Base-Backbone interact. energy: -0.884
local terms energy: -224.162436
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -45.571
flat angles C4'-P-C4' energy: -50.321
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -67.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -631.064844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.064844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.064844 (E_RNA)
where:
Base-Base interactions energy: -424.847
where: short stacking energy: -198.588
Base-Backbone interact. energy: -0.663
local terms energy: -205.554079
where:
bonds (distance) C4'-P energy: -41.776
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -42.658
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -54.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -442.516833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.516833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.516833 (E_RNA)
where:
Base-Base interactions energy: -263.405
where: short stacking energy: -149.041
Base-Backbone interact. energy: -0.600
local terms energy: -178.511987
where:
bonds (distance) C4'-P energy: -44.528
bonds (distance) P-C4' energy: -42.417
flat angles C4'-P-C4' energy: -48.030
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -410.890742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.890742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.890742 (E_RNA)
where:
Base-Base interactions energy: -219.427
where: short stacking energy: -146.563
Base-Backbone interact. energy: -0.861
local terms energy: -190.602909
where:
bonds (distance) C4'-P energy: -41.175
bonds (distance) P-C4' energy: -41.421
flat angles C4'-P-C4' energy: -42.193
flat angles P-C4'-P energy: -31.382
tors. eta vs tors. theta energy: -34.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -388.104127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.104127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.104127 (E_RNA)
where:
Base-Base interactions energy: -219.776
where: short stacking energy: -113.611
Base-Backbone interact. energy: -0.503
local terms energy: -167.825104
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -25.828
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: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -201.695812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.695812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.695812 (E_RNA)
where:
Base-Base interactions energy: -67.016
where: short stacking energy: -63.942
Base-Backbone interact. energy: 0.287
local terms energy: -134.966377
where:
bonds (distance) C4'-P energy: -40.663
bonds (distance) P-C4' energy: -37.907
flat angles C4'-P-C4' energy: -28.984
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -214.934666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.934666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.934666 (E_RNA)
where:
Base-Base interactions energy: -90.385
where: short stacking energy: -74.931
Base-Backbone interact. energy: -1.926
local terms energy: -122.624165
where:
bonds (distance) C4'-P energy: -37.423
bonds (distance) P-C4' energy: -35.657
flat angles C4'-P-C4' energy: -34.105
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -859.896372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.896372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.896372 (E_RNA)
where:
Base-Base interactions energy: -613.443
where: short stacking energy: -240.247
Base-Backbone interact. energy: -0.285
local terms energy: -246.168023
where:
bonds (distance) C4'-P energy: -50.332
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -69.881
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: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -746.164634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.164634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.164634 (E_RNA)
where:
Base-Base interactions energy: -517.501
where: short stacking energy: -214.546
Base-Backbone interact. energy: 1.332
local terms energy: -229.995990
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -48.958
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: -56.647
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: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -755.430869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.430869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.430869 (E_RNA)
where:
Base-Base interactions energy: -546.554
where: short stacking energy: -209.738
Base-Backbone interact. energy: -0.530
local terms energy: -208.346427
where:
bonds (distance) C4'-P energy: -38.443
bonds (distance) P-C4' energy: -37.671
flat angles C4'-P-C4' energy: -46.522
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -54.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -725.839353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.839353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.839353 (E_RNA)
where:
Base-Base interactions energy: -484.041
where: short stacking energy: -213.432
Base-Backbone interact. energy: -0.660
local terms energy: -241.138590
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -49.605
flat angles C4'-P-C4' energy: -50.132
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -64.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -583.762541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.762541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.762541 (E_RNA)
where:
Base-Base interactions energy: -380.343
where: short stacking energy: -167.546
Base-Backbone interact. energy: -2.745
local terms energy: -200.673960
where:
bonds (distance) C4'-P energy: -41.527
bonds (distance) P-C4' energy: -43.347
flat angles C4'-P-C4' energy: -42.911
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -42.596
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: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -395.267824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.267824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.267824 (E_RNA)
where:
Base-Base interactions energy: -218.811
where: short stacking energy: -124.477
Base-Backbone interact. energy: -0.111
local terms energy: -176.345674
where:
bonds (distance) C4'-P energy: -40.355
bonds (distance) P-C4' energy: -45.329
flat angles C4'-P-C4' energy: -38.225
flat angles P-C4'-P energy: -29.268
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -428.504301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.504301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.504301 (E_RNA)
where:
Base-Base interactions energy: -250.179
where: short stacking energy: -121.020
Base-Backbone interact. energy: -1.909
local terms energy: -176.416571
where:
bonds (distance) C4'-P energy: -42.033
bonds (distance) P-C4' energy: -41.375
flat angles C4'-P-C4' energy: -38.842
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: -23.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -381.440831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.440831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.440831 (E_RNA)
where:
Base-Base interactions energy: -203.928
where: short stacking energy: -115.634
Base-Backbone interact. energy: 1.187
local terms energy: -178.698989
where:
bonds (distance) C4'-P energy: -41.187
bonds (distance) P-C4' energy: -42.399
flat angles C4'-P-C4' energy: -37.692
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -31.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -217.291525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.291525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.291525 (E_RNA)
where:
Base-Base interactions energy: -77.223
where: short stacking energy: -74.553
Base-Backbone interact. energy: -1.038
local terms energy: -139.029808
where:
bonds (distance) C4'-P energy: -38.407
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -22.460
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: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -208.075830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.075830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.075830 (E_RNA)
where:
Base-Base interactions energy: -66.061
where: short stacking energy: -49.463
Base-Backbone interact. energy: -0.186
local terms energy: -141.828723
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -37.950
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: 8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -849.127604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.127604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.127604 (E_RNA)
where:
Base-Base interactions energy: -605.311
where: short stacking energy: -241.264
Base-Backbone interact. energy: 0.439
local terms energy: -244.255010
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -47.768
flat angles C4'-P-C4' energy: -48.155
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -65.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -744.849858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.849858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.849858 (E_RNA)
where:
Base-Base interactions energy: -504.890
where: short stacking energy: -207.151
Base-Backbone interact. energy: -1.270
local terms energy: -238.689010
where:
bonds (distance) C4'-P energy: -46.749
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -54.456
flat angles P-C4'-P energy: -39.312
tors. eta vs tors. theta energy: -55.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -742.952173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.952173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.952173 (E_RNA)
where:
Base-Base interactions energy: -512.843
where: short stacking energy: -194.537
Base-Backbone interact. energy: -0.416
local terms energy: -229.692973
where:
bonds (distance) C4'-P energy: -49.224
bonds (distance) P-C4' energy: -51.519
flat angles C4'-P-C4' energy: -42.587
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -48.091
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: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -715.746812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.746812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.746812 (E_RNA)
where:
Base-Base interactions energy: -494.756
where: short stacking energy: -206.323
Base-Backbone interact. energy: -1.347
local terms energy: -219.643515
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -37.645
flat angles C4'-P-C4' energy: -44.671
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -66.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -608.724438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.724438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.724438 (E_RNA)
where:
Base-Base interactions energy: -399.260
where: short stacking energy: -181.505
Base-Backbone interact. energy: -0.908
local terms energy: -208.555555
where:
bonds (distance) C4'-P energy: -37.330
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -46.866
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -46.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -428.790413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.790413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.790413 (E_RNA)
where:
Base-Base interactions energy: -256.702
where: short stacking energy: -136.526
Base-Backbone interact. energy: -3.132
local terms energy: -168.956255
where:
bonds (distance) C4'-P energy: -44.863
bonds (distance) P-C4' energy: -43.018
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -18.387
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: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -391.308039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.308039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.308039 (E_RNA)
where:
Base-Base interactions energy: -224.099
where: short stacking energy: -112.201
Base-Backbone interact. energy: 1.029
local terms energy: -168.237256
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -43.785
flat angles C4'-P-C4' energy: -38.762
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -24.426
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: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -404.964499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.964499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.964499 (E_RNA)
where:
Base-Base interactions energy: -243.241
where: short stacking energy: -110.164
Base-Backbone interact. energy: 1.007
local terms energy: -162.730896
where:
bonds (distance) C4'-P energy: -40.495
bonds (distance) P-C4' energy: -43.303
flat angles C4'-P-C4' energy: -39.376
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -213.688634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.688634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.688634 (E_RNA)
where:
Base-Base interactions energy: -86.521
where: short stacking energy: -77.414
Base-Backbone interact. energy: 5.754
local terms energy: -132.922007
where:
bonds (distance) C4'-P energy: -38.284
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -38.990
flat angles P-C4'-P energy: -26.944
tors. eta vs tors. theta energy: -5.152
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: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -193.841339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.841339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.841339 (E_RNA)
where:
Base-Base interactions energy: -75.643
where: short stacking energy: -60.756
Base-Backbone interact. energy: -0.998
local terms energy: -117.199563
where:
bonds (distance) C4'-P energy: -38.800
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: 9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -862.995306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.995306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.995306 (E_RNA)
where:
Base-Base interactions energy: -605.114
where: short stacking energy: -248.292
Base-Backbone interact. energy: -0.594
local terms energy: -257.287705
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -46.130
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -43.768
tors. eta vs tors. theta energy: -70.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -782.603012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.603012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.603012 (E_RNA)
where:
Base-Base interactions energy: -557.057
where: short stacking energy: -209.493
Base-Backbone interact. energy: -2.337
local terms energy: -223.209644
where:
bonds (distance) C4'-P energy: -41.528
bonds (distance) P-C4' energy: -49.060
flat angles C4'-P-C4' energy: -46.961
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -56.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -728.426101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.426101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.426101 (E_RNA)
where:
Base-Base interactions energy: -499.993
where: short stacking energy: -212.056
Base-Backbone interact. energy: -2.324
local terms energy: -226.108420
where:
bonds (distance) C4'-P energy: -41.886
bonds (distance) P-C4' energy: -48.374
flat angles C4'-P-C4' energy: -46.897
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -57.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -712.757609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.757609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.757609 (E_RNA)
where:
Base-Base interactions energy: -482.983
where: short stacking energy: -209.106
Base-Backbone interact. energy: -2.633
local terms energy: -227.141502
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -42.960
flat angles C4'-P-C4' energy: -41.431
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -66.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -607.910140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.910140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.910140 (E_RNA)
where:
Base-Base interactions energy: -414.047
where: short stacking energy: -176.674
Base-Backbone interact. energy: -0.585
local terms energy: -193.277649
where:
bonds (distance) C4'-P energy: -32.274
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -49.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -449.741731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.741731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.741731 (E_RNA)
where:
Base-Base interactions energy: -252.450
where: short stacking energy: -139.210
Base-Backbone interact. energy: -0.021
local terms energy: -197.270556
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -32.879
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: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -423.996202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.996202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.996202 (E_RNA)
where:
Base-Base interactions energy: -262.362
where: short stacking energy: -136.796
Base-Backbone interact. energy: -0.494
local terms energy: -161.140251
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -20.728
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: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -412.996995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.996995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.996995 (E_RNA)
where:
Base-Base interactions energy: -243.405
where: short stacking energy: -113.787
Base-Backbone interact. energy: -0.769
local terms energy: -168.822275
where:
bonds (distance) C4'-P energy: -51.995
bonds (distance) P-C4' energy: -38.935
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -219.331602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.331602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.331602 (E_RNA)
where:
Base-Base interactions energy: -83.110
where: short stacking energy: -73.466
Base-Backbone interact. energy: 0.774
local terms energy: -136.995946
where:
bonds (distance) C4'-P energy: -40.038
bonds (distance) P-C4' energy: -46.650
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -195.155947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.155947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.155947 (E_RNA)
where:
Base-Base interactions energy: -65.607
where: short stacking energy: -60.921
Base-Backbone interact. energy: 2.177
local terms energy: -131.725427
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: 8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -840.661925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.661925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.661925 (E_RNA)
where:
Base-Base interactions energy: -580.285
where: short stacking energy: -246.392
Base-Backbone interact. energy: -0.503
local terms energy: -259.873948
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -50.162
flat angles C4'-P-C4' energy: -51.384
flat angles P-C4'-P energy: -34.799
tors. eta vs tors. theta energy: -76.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -776.790922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.790922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.790922 (E_RNA)
where:
Base-Base interactions energy: -552.065
where: short stacking energy: -220.583
Base-Backbone interact. energy: -1.397
local terms energy: -223.328653
where:
bonds (distance) C4'-P energy: -35.458
bonds (distance) P-C4' energy: -49.228
flat angles C4'-P-C4' energy: -51.317
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -50.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -738.156043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.156043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.156043 (E_RNA)
where:
Base-Base interactions energy: -502.024
where: short stacking energy: -211.770
Base-Backbone interact. energy: -1.637
local terms energy: -234.495487
where:
bonds (distance) C4'-P energy: -50.088
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -51.479
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: -59.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -724.583887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.583887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.583887 (E_RNA)
where:
Base-Base interactions energy: -503.713
where: short stacking energy: -227.761
Base-Backbone interact. energy: -4.668
local terms energy: -216.202441
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -47.740
flat angles C4'-P-C4' energy: -41.539
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -68.468
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: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -604.071611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.071611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.071611 (E_RNA)
where:
Base-Base interactions energy: -387.639
where: short stacking energy: -178.974
Base-Backbone interact. energy: -0.882
local terms energy: -215.551565
where:
bonds (distance) C4'-P energy: -39.099
bonds (distance) P-C4' energy: -47.893
flat angles C4'-P-C4' energy: -43.704
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -44.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -477.230817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.230817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.230817 (E_RNA)
where:
Base-Base interactions energy: -308.011
where: short stacking energy: -158.161
Base-Backbone interact. energy: 0.737
local terms energy: -169.956648
where:
bonds (distance) C4'-P energy: -35.886
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -42.468
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -28.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -443.554371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.554371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.554371 (E_RNA)
where:
Base-Base interactions energy: -277.891
where: short stacking energy: -131.972
Base-Backbone interact. energy: -0.758
local terms energy: -164.905341
where:
bonds (distance) C4'-P energy: -39.497
bonds (distance) P-C4' energy: -37.769
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -25.611
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: 94
Temperature: 1.250000
Total energy: -385.989056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.989056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.989056 (E_RNA)
where:
Base-Base interactions energy: -217.867
where: short stacking energy: -113.787
Base-Backbone interact. energy: -1.287
local terms energy: -166.834421
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -43.672
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -24.974
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: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -258.176764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.176764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.176764 (E_RNA)
where:
Base-Base interactions energy: -124.083
where: short stacking energy: -64.449
Base-Backbone interact. energy: -0.415
local terms energy: -133.678788
where:
bonds (distance) C4'-P energy: -39.660
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -198.508625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.508625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.508625 (E_RNA)
where:
Base-Base interactions energy: -69.145
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.767
local terms energy: -128.596722
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -24.642
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -835.225043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.225043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.225043 (E_RNA)
where:
Base-Base interactions energy: -577.361
where: short stacking energy: -252.104
Base-Backbone interact. energy: -1.990
local terms energy: -255.873717
where:
bonds (distance) C4'-P energy: -42.412
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -52.757
flat angles P-C4'-P energy: -34.352
tors. eta vs tors. theta energy: -75.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -786.942899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.942899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.942899 (E_RNA)
where:
Base-Base interactions energy: -549.607
where: short stacking energy: -217.160
Base-Backbone interact. energy: 0.790
local terms energy: -238.126192
where:
bonds (distance) C4'-P energy: -50.569
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -52.059
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -56.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -715.185484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.185484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.185484 (E_RNA)
where:
Base-Base interactions energy: -493.861
where: short stacking energy: -186.440
Base-Backbone interact. energy: -0.422
local terms energy: -220.902390
where:
bonds (distance) C4'-P energy: -40.878
bonds (distance) P-C4' energy: -41.918
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -48.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -713.555198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.555198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.555198 (E_RNA)
where:
Base-Base interactions energy: -481.513
where: short stacking energy: -189.480
Base-Backbone interact. energy: -1.350
local terms energy: -230.692359
where:
bonds (distance) C4'-P energy: -43.107
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -46.816
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -64.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -608.833968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.833968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.833968 (E_RNA)
where:
Base-Base interactions energy: -390.733
where: short stacking energy: -188.886
Base-Backbone interact. energy: -1.559
local terms energy: -216.541665
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -45.165
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -53.921
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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -459.481397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.481397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.481397 (E_RNA)
where:
Base-Base interactions energy: -294.842
where: short stacking energy: -159.895
Base-Backbone interact. energy: -0.649
local terms energy: -163.990125
where:
bonds (distance) C4'-P energy: -34.167
bonds (distance) P-C4' energy: -43.467
flat angles C4'-P-C4' energy: -40.001
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -24.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -478.098327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.098327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.098327 (E_RNA)
where:
Base-Base interactions energy: -291.401
where: short stacking energy: -153.360
Base-Backbone interact. energy: 0.007
local terms energy: -186.704540
where:
bonds (distance) C4'-P energy: -37.820
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -48.039
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -36.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -341.987395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.987395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.987395 (E_RNA)
where:
Base-Base interactions energy: -191.408
where: short stacking energy: -87.509
Base-Backbone interact. energy: -0.404
local terms energy: -150.175167
where:
bonds (distance) C4'-P energy: -42.321
bonds (distance) P-C4' energy: -35.544
flat angles C4'-P-C4' energy: -40.615
flat angles P-C4'-P energy: -22.525
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -253.797487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.797487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.797487 (E_RNA)
where:
Base-Base interactions energy: -117.010
where: short stacking energy: -77.410
Base-Backbone interact. energy: -0.840
local terms energy: -135.947019
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -39.587
flat angles C4'-P-C4' energy: -36.052
flat angles P-C4'-P energy: -26.456
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -197.266411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.266411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.266411 (E_RNA)
where:
Base-Base interactions energy: -67.766
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.580
local terms energy: -128.920575
where:
bonds (distance) C4'-P energy: -35.938
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -28.812
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: 1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -845.569420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.569420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.569420 (E_RNA)
where:
Base-Base interactions energy: -587.606
where: short stacking energy: -246.487
Base-Backbone interact. energy: -0.840
local terms energy: -257.123846
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -48.991
flat angles C4'-P-C4' energy: -52.926
flat angles P-C4'-P energy: -40.867
tors. eta vs tors. theta energy: -75.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -788.727074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.727074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.727074 (E_RNA)
where:
Base-Base interactions energy: -557.047
where: short stacking energy: -225.930
Base-Backbone interact. energy: -1.735
local terms energy: -229.944871
where:
bonds (distance) C4'-P energy: -40.564
bonds (distance) P-C4' energy: -40.285
flat angles C4'-P-C4' energy: -47.407
flat angles P-C4'-P energy: -36.889
tors. eta vs tors. theta energy: -64.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -716.949874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.949874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.949874 (E_RNA)
where:
Base-Base interactions energy: -482.811
where: short stacking energy: -220.155
Base-Backbone interact. energy: -1.486
local terms energy: -232.653030
where:
bonds (distance) C4'-P energy: -40.499
bonds (distance) P-C4' energy: -44.669
flat angles C4'-P-C4' energy: -46.921
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -66.249
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: 96
Temperature: 1.050000
Total energy: -706.857884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.857884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.857884 (E_RNA)
where:
Base-Base interactions energy: -493.049
where: short stacking energy: -208.649
Base-Backbone interact. energy: -1.383
local terms energy: -212.426006
where:
bonds (distance) C4'-P energy: -33.813
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -51.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -628.364373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.364373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.364373 (E_RNA)
where:
Base-Base interactions energy: -426.295
where: short stacking energy: -187.133
Base-Backbone interact. energy: -2.844
local terms energy: -199.224785
where:
bonds (distance) C4'-P energy: -40.593
bonds (distance) P-C4' energy: -40.244
flat angles C4'-P-C4' energy: -43.204
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -55.535
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: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -462.771315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.771315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.771315 (E_RNA)
where:
Base-Base interactions energy: -266.994
where: short stacking energy: -132.298
Base-Backbone interact. energy: 0.256
local terms energy: -196.032773
where:
bonds (distance) C4'-P energy: -46.312
bonds (distance) P-C4' energy: -54.439
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -33.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -443.082846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.082846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.082846 (E_RNA)
where:
Base-Base interactions energy: -259.468
where: short stacking energy: -139.107
Base-Backbone interact. energy: -1.665
local terms energy: -181.950127
where:
bonds (distance) C4'-P energy: -43.673
bonds (distance) P-C4' energy: -45.921
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -34.273
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: 96
Temperature: 1.250000
Total energy: -368.600793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.600793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.600793 (E_RNA)
where:
Base-Base interactions energy: -206.162
where: short stacking energy: -97.409
Base-Backbone interact. energy: -1.212
local terms energy: -161.227500
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -45.725
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -31.189
tors. eta vs tors. theta energy: -13.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -268.977779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.977779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.977779 (E_RNA)
where:
Base-Base interactions energy: -127.460
where: short stacking energy: -91.179
Base-Backbone interact. energy: 0.631
local terms energy: -142.148819
where:
bonds (distance) C4'-P energy: -29.974
bonds (distance) P-C4' energy: -46.597
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -190.737245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.737245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.737245 (E_RNA)
where:
Base-Base interactions energy: -63.876
where: short stacking energy: -61.677
Base-Backbone interact. energy: -0.580
local terms energy: -126.282025
where:
bonds (distance) C4'-P energy: -40.443
bonds (distance) P-C4' energy: -45.713
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -843.489396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.489396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.489396 (E_RNA)
where:
Base-Base interactions energy: -585.282
where: short stacking energy: -250.519
Base-Backbone interact. energy: -0.609
local terms energy: -257.599075
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -52.316
flat angles P-C4'-P energy: -37.551
tors. eta vs tors. theta energy: -74.611
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: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -791.161274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.161274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.161274 (E_RNA)
where:
Base-Base interactions energy: -558.967
where: short stacking energy: -223.540
Base-Backbone interact. energy: -0.916
local terms energy: -231.277760
where:
bonds (distance) C4'-P energy: -46.076
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -45.703
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -62.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -749.545452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.545452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.545452 (E_RNA)
where:
Base-Base interactions energy: -517.189
where: short stacking energy: -219.178
Base-Backbone interact. energy: -3.219
local terms energy: -229.137481
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -38.959
flat angles C4'-P-C4' energy: -44.679
flat angles P-C4'-P energy: -32.101
tors. eta vs tors. theta energy: -72.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -639.375768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.375768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.375768 (E_RNA)
where:
Base-Base interactions energy: -433.177
where: short stacking energy: -186.392
Base-Backbone interact. energy: -1.161
local terms energy: -205.037306
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -42.444
flat angles C4'-P-C4' energy: -42.313
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -50.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -696.596241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.596241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.596241 (E_RNA)
where:
Base-Base interactions energy: -477.663
where: short stacking energy: -195.347
Base-Backbone interact. energy: 0.793
local terms energy: -219.725630
where:
bonds (distance) C4'-P energy: -43.058
bonds (distance) P-C4' energy: -42.702
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -33.350
tors. eta vs tors. theta energy: -47.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -464.294151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.294151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.294151 (E_RNA)
where:
Base-Base interactions energy: -283.900
where: short stacking energy: -141.489
Base-Backbone interact. energy: -0.456
local terms energy: -179.938115
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -41.455
flat angles P-C4'-P energy: -22.113
tors. eta vs tors. theta energy: -27.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -394.168209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.168209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.168209 (E_RNA)
where:
Base-Base interactions energy: -218.204
where: short stacking energy: -111.450
Base-Backbone interact. energy: -0.823
local terms energy: -175.141233
where:
bonds (distance) C4'-P energy: -39.551
bonds (distance) P-C4' energy: -43.202
flat angles C4'-P-C4' energy: -47.961
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -352.504139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.504139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.504139 (E_RNA)
where:
Base-Base interactions energy: -193.303
where: short stacking energy: -111.087
Base-Backbone interact. energy: -0.393
local terms energy: -158.807791
where:
bonds (distance) C4'-P energy: -41.159
bonds (distance) P-C4' energy: -39.548
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -14.031
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: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -222.697489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.697489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.697489 (E_RNA)
where:
Base-Base interactions energy: -83.306
where: short stacking energy: -81.462
Base-Backbone interact. energy: 1.315
local terms energy: -140.706506
where:
bonds (distance) C4'-P energy: -34.152
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -201.134243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.134243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.134243 (E_RNA)
where:
Base-Base interactions energy: -77.129
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.002
local terms energy: -124.003682
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -35.248
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -857.578167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.578167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.578167 (E_RNA)
where:
Base-Base interactions energy: -601.635
where: short stacking energy: -261.202
Base-Backbone interact. energy: -0.161
local terms energy: -255.781396
where:
bonds (distance) C4'-P energy: -47.734
bonds (distance) P-C4' energy: -48.408
flat angles C4'-P-C4' energy: -50.555
flat angles P-C4'-P energy: -35.775
tors. eta vs tors. theta energy: -73.310
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: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -784.116819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.116819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.116819 (E_RNA)
where:
Base-Base interactions energy: -543.953
where: short stacking energy: -203.529
Base-Backbone interact. energy: 0.256
local terms energy: -240.419956
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -41.468
flat angles C4'-P-C4' energy: -50.553
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -64.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -748.736441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.736441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.736441 (E_RNA)
where:
Base-Base interactions energy: -525.068
where: short stacking energy: -221.807
Base-Backbone interact. energy: -2.070
local terms energy: -221.597590
where:
bonds (distance) C4'-P energy: -36.904
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -45.815
flat angles P-C4'-P energy: -31.032
tors. eta vs tors. theta energy: -67.744
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: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -604.299836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.299836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.299836 (E_RNA)
where:
Base-Base interactions energy: -381.160
where: short stacking energy: -186.023
Base-Backbone interact. energy: -0.091
local terms energy: -223.049144
where:
bonds (distance) C4'-P energy: -46.469
bonds (distance) P-C4' energy: -48.098
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -27.205
tors. eta vs tors. theta energy: -51.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -680.843773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.843773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.843773 (E_RNA)
where:
Base-Base interactions energy: -465.975
where: short stacking energy: -180.184
Base-Backbone interact. energy: -0.795
local terms energy: -214.073342
where:
bonds (distance) C4'-P energy: -48.511
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -45.641
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -56.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -469.604078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.604078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.604078 (E_RNA)
where:
Base-Base interactions energy: -265.034
where: short stacking energy: -133.333
Base-Backbone interact. energy: 1.653
local terms energy: -206.222871
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -56.941
flat angles C4'-P-C4' energy: -40.467
flat angles P-C4'-P energy: -30.253
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: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -412.470023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.470023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.470023 (E_RNA)
where:
Base-Base interactions energy: -243.860
where: short stacking energy: -123.636
Base-Backbone interact. energy: -0.925
local terms energy: -167.685388
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -41.467
flat angles C4'-P-C4' energy: -40.985
flat angles P-C4'-P energy: -25.217
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: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -345.266534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.266534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.266534 (E_RNA)
where:
Base-Base interactions energy: -189.438
where: short stacking energy: -107.109
Base-Backbone interact. energy: 1.138
local terms energy: -156.966932
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -42.738
flat angles C4'-P-C4' energy: -37.226
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -287.246186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.246186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.246186 (E_RNA)
where:
Base-Base interactions energy: -165.135
where: short stacking energy: -95.750
Base-Backbone interact. energy: 1.072
local terms energy: -123.183489
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -35.924
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -204.687037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.687037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.687037 (E_RNA)
where:
Base-Base interactions energy: -63.038
where: short stacking energy: -53.315
Base-Backbone interact. energy: -0.803
local terms energy: -140.846499
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -844.165273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.165273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.165273 (E_RNA)
where:
Base-Base interactions energy: -585.193
where: short stacking energy: -250.595
Base-Backbone interact. energy: -0.319
local terms energy: -258.652854
where:
bonds (distance) C4'-P energy: -46.348
bonds (distance) P-C4' energy: -45.370
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -41.630
tors. eta vs tors. theta energy: -76.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -777.764146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.764146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.764146 (E_RNA)
where:
Base-Base interactions energy: -519.564
where: short stacking energy: -228.047
Base-Backbone interact. energy: -2.697
local terms energy: -255.503645
where:
bonds (distance) C4'-P energy: -44.572
bonds (distance) P-C4' energy: -48.359
flat angles C4'-P-C4' energy: -52.062
flat angles P-C4'-P energy: -28.765
tors. eta vs tors. theta energy: -81.745
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: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -765.766591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.766591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.766591 (E_RNA)
where:
Base-Base interactions energy: -548.764
where: short stacking energy: -220.689
Base-Backbone interact. energy: -0.425
local terms energy: -216.578494
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -37.573
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -34.273
tors. eta vs tors. theta energy: -57.071
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: 99
Temperature: 1.050000
Total energy: -697.812324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.812324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.812324 (E_RNA)
where:
Base-Base interactions energy: -476.498
where: short stacking energy: -194.884
Base-Backbone interact. energy: -0.351
local terms energy: -220.963406
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -52.577
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -52.293
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: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -594.143604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.143604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.143604 (E_RNA)
where:
Base-Base interactions energy: -402.044
where: short stacking energy: -174.721
Base-Backbone interact. energy: 2.227
local terms energy: -194.327188
where:
bonds (distance) C4'-P energy: -36.336
bonds (distance) P-C4' energy: -38.674
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -33.514
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: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -464.553927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.553927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.553927 (E_RNA)
where:
Base-Base interactions energy: -283.495
where: short stacking energy: -146.822
Base-Backbone interact. energy: -1.220
local terms energy: -179.838327
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -44.694
flat angles C4'-P-C4' energy: -42.688
flat angles P-C4'-P energy: -20.704
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: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -405.665205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.665205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.665205 (E_RNA)
where:
Base-Base interactions energy: -234.164
where: short stacking energy: -139.778
Base-Backbone interact. energy: 0.415
local terms energy: -171.916030
where:
bonds (distance) C4'-P energy: -41.011
bonds (distance) P-C4' energy: -38.528
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -28.869
tors. eta vs tors. theta energy: -35.523
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: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -333.456634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.456634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.456634 (E_RNA)
where:
Base-Base interactions energy: -170.076
where: short stacking energy: -105.238
Base-Backbone interact. energy: -0.493
local terms energy: -162.887377
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -50.588
flat angles C4'-P-C4' energy: -35.095
flat angles P-C4'-P energy: -27.933
tors. eta vs tors. theta energy: -15.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -282.103677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.103677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.103677 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -94.940
Base-Backbone interact. energy: -0.233
local terms energy: -133.505104
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -32.571
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -8.129
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: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -198.624168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.624168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.624168 (E_RNA)
where:
Base-Base interactions energy: -74.520
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.733
local terms energy: -123.371492
where:
bonds (distance) C4'-P energy: -36.981
bonds (distance) P-C4' energy: -34.280
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -833.512747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.512747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.512747 (E_RNA)
where:
Base-Base interactions energy: -596.339
where: short stacking energy: -240.576
Base-Backbone interact. energy: -0.985
local terms energy: -236.188864
where:
bonds (distance) C4'-P energy: -41.187
bonds (distance) P-C4' energy: -44.540
flat angles C4'-P-C4' energy: -54.507
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: -66.093
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: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -770.693452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.693452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.693452 (E_RNA)
where:
Base-Base interactions energy: -521.068
where: short stacking energy: -229.509
Base-Backbone interact. energy: 1.290
local terms energy: -250.915741
where:
bonds (distance) C4'-P energy: -46.650
bonds (distance) P-C4' energy: -53.257
flat angles C4'-P-C4' energy: -51.616
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -73.475
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: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -744.974207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.974207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.974207 (E_RNA)
where:
Base-Base interactions energy: -523.905
where: short stacking energy: -212.820
Base-Backbone interact. energy: -0.434
local terms energy: -220.635877
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -40.244
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -29.435
tors. eta vs tors. theta energy: -55.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -717.680211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.680211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.680211 (E_RNA)
where:
Base-Base interactions energy: -477.924
where: short stacking energy: -205.440
Base-Backbone interact. energy: -0.189
local terms energy: -239.567547
where:
bonds (distance) C4'-P energy: -44.657
bonds (distance) P-C4' energy: -49.908
flat angles C4'-P-C4' energy: -51.784
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -55.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -567.011368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.011368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.011368 (E_RNA)
where:
Base-Base interactions energy: -378.149
where: short stacking energy: -151.701
Base-Backbone interact. energy: 0.467
local terms energy: -189.329867
where:
bonds (distance) C4'-P energy: -42.945
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -43.450
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -29.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -467.462304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.462304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.462304 (E_RNA)
where:
Base-Base interactions energy: -282.463
where: short stacking energy: -136.714
Base-Backbone interact. energy: 1.366
local terms energy: -186.365606
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -41.277
flat angles C4'-P-C4' energy: -51.360
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: -30.464
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: 100
Temperature: 1.200000
Total energy: -399.998478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.998478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.998478 (E_RNA)
where:
Base-Base interactions energy: -227.032
where: short stacking energy: -120.900
Base-Backbone interact. energy: 0.272
local terms energy: -173.238356
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -44.730
flat angles C4'-P-C4' energy: -38.541
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -332.206829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.206829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.206829 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -94.260
Base-Backbone interact. energy: -0.213
local terms energy: -160.837179
where:
bonds (distance) C4'-P energy: -42.045
bonds (distance) P-C4' energy: -49.655
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -26.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -254.298526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.298526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.298526 (E_RNA)
where:
Base-Base interactions energy: -131.048
where: short stacking energy: -86.557
Base-Backbone interact. energy: -1.433
local terms energy: -121.817614
where:
bonds (distance) C4'-P energy: -31.282
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -211.444322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.444322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.444322 (E_RNA)
where:
Base-Base interactions energy: -69.934
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.145
local terms energy: -141.365284
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -48.690
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -21.957
tors. eta vs tors. theta energy: 11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -839.707386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.707386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.707386 (E_RNA)
where:
Base-Base interactions energy: -602.649
where: short stacking energy: -241.593
Base-Backbone interact. energy: -0.114
local terms energy: -236.944885
where:
bonds (distance) C4'-P energy: -45.043
bonds (distance) P-C4' energy: -38.101
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -63.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -767.843103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.843103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.843103 (E_RNA)
where:
Base-Base interactions energy: -539.786
where: short stacking energy: -213.432
Base-Backbone interact. energy: -0.270
local terms energy: -227.787276
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -46.271
flat angles C4'-P-C4' energy: -44.444
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -58.390
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: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -740.686377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.686377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.686377 (E_RNA)
where:
Base-Base interactions energy: -507.011
where: short stacking energy: -226.563
Base-Backbone interact. energy: -1.931
local terms energy: -231.744467
where:
bonds (distance) C4'-P energy: -39.043
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -46.532
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -76.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -697.916907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.916907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.916907 (E_RNA)
where:
Base-Base interactions energy: -468.212
where: short stacking energy: -190.493
Base-Backbone interact. energy: 1.375
local terms energy: -231.079950
where:
bonds (distance) C4'-P energy: -42.496
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -55.671
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -593.785635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.785635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.785635 (E_RNA)
where:
Base-Base interactions energy: -387.156
where: short stacking energy: -176.915
Base-Backbone interact. energy: -0.808
local terms energy: -205.822309
where:
bonds (distance) C4'-P energy: -43.273
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -50.649
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -48.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -450.779369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.779369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.779369 (E_RNA)
where:
Base-Base interactions energy: -261.289
where: short stacking energy: -132.930
Base-Backbone interact. energy: 1.336
local terms energy: -190.826524
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -48.894
flat angles P-C4'-P energy: -34.383
tors. eta vs tors. theta energy: -31.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -408.065066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.065066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.065066 (E_RNA)
where:
Base-Base interactions energy: -243.908
where: short stacking energy: -121.725
Base-Backbone interact. energy: 0.932
local terms energy: -165.088992
where:
bonds (distance) C4'-P energy: -42.308
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -21.486
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: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -309.585960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.585960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.585960 (E_RNA)
where:
Base-Base interactions energy: -166.173
where: short stacking energy: -85.301
Base-Backbone interact. energy: 2.085
local terms energy: -145.497917
where:
bonds (distance) C4'-P energy: -38.693
bonds (distance) P-C4' energy: -47.970
flat angles C4'-P-C4' energy: -33.915
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -277.798972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.798972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.798972 (E_RNA)
where:
Base-Base interactions energy: -127.427
where: short stacking energy: -71.646
Base-Backbone interact. energy: -0.448
local terms energy: -149.923901
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -36.417
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -210.148994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.148994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.148994 (E_RNA)
where:
Base-Base interactions energy: -87.607
where: short stacking energy: -60.729
Base-Backbone interact. energy: -1.387
local terms energy: -121.155343
where:
bonds (distance) C4'-P energy: -31.559
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: 7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -820.164284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.164284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.164284 (E_RNA)
where:
Base-Base interactions energy: -582.588
where: short stacking energy: -233.634
Base-Backbone interact. energy: -1.122
local terms energy: -236.454042
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -44.125
flat angles C4'-P-C4' energy: -51.591
flat angles P-C4'-P energy: -35.736
tors. eta vs tors. theta energy: -62.612
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: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -818.204197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.204197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.204197 (E_RNA)
where:
Base-Base interactions energy: -567.977
where: short stacking energy: -250.183
Base-Backbone interact. energy: -0.707
local terms energy: -249.520193
where:
bonds (distance) C4'-P energy: -48.089
bonds (distance) P-C4' energy: -46.154
flat angles C4'-P-C4' energy: -52.168
flat angles P-C4'-P energy: -33.557
tors. eta vs tors. theta energy: -69.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -739.226156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.226156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.226156 (E_RNA)
where:
Base-Base interactions energy: -498.015
where: short stacking energy: -233.883
Base-Backbone interact. energy: -0.589
local terms energy: -240.622664
where:
bonds (distance) C4'-P energy: -42.930
bonds (distance) P-C4' energy: -44.086
flat angles C4'-P-C4' energy: -51.072
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -74.626
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: 102
Temperature: 1.050000
Total energy: -710.841416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.841416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.841416 (E_RNA)
where:
Base-Base interactions energy: -490.572
where: short stacking energy: -213.681
Base-Backbone interact. energy: 0.852
local terms energy: -221.121963
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -43.761
flat angles C4'-P-C4' energy: -46.358
flat angles P-C4'-P energy: -32.645
tors. eta vs tors. theta energy: -56.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -644.307366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.307366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.307366 (E_RNA)
where:
Base-Base interactions energy: -419.825
where: short stacking energy: -191.182
Base-Backbone interact. energy: -1.586
local terms energy: -222.896122
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -42.655
flat angles C4'-P-C4' energy: -45.411
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -57.847
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: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -467.953707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.953707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.953707 (E_RNA)
where:
Base-Base interactions energy: -285.922
where: short stacking energy: -155.279
Base-Backbone interact. energy: 0.195
local terms energy: -182.226057
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -36.319
flat angles C4'-P-C4' energy: -43.055
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -42.645
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: 102
Temperature: 1.200000
Total energy: -390.868579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.868579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.868579 (E_RNA)
where:
Base-Base interactions energy: -224.510
where: short stacking energy: -110.185
Base-Backbone interact. energy: -0.832
local terms energy: -165.526559
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -43.592
flat angles P-C4'-P energy: -30.514
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -354.668344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.668344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.668344 (E_RNA)
where:
Base-Base interactions energy: -209.806
where: short stacking energy: -111.860
Base-Backbone interact. energy: -1.469
local terms energy: -143.393862
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -28.946
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -269.296469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.296469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.296469 (E_RNA)
where:
Base-Base interactions energy: -135.696
where: short stacking energy: -71.608
Base-Backbone interact. energy: -3.620
local terms energy: -129.981022
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -47.454
flat angles C4'-P-C4' energy: -22.592
flat angles P-C4'-P energy: -20.415
tors. eta vs tors. theta energy: 11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -194.583962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.583962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.583962 (E_RNA)
where:
Base-Base interactions energy: -75.682
where: short stacking energy: -70.236
Base-Backbone interact. energy: 1.530
local terms energy: -120.432014
where:
bonds (distance) C4'-P energy: -33.304
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -33.073
flat angles P-C4'-P energy: -17.642
tors. eta vs tors. theta energy: 5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -820.061443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.061443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.061443 (E_RNA)
where:
Base-Base interactions energy: -570.193
where: short stacking energy: -233.898
Base-Backbone interact. energy: -1.633
local terms energy: -248.236162
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -47.903
flat angles C4'-P-C4' energy: -53.467
flat angles P-C4'-P energy: -29.166
tors. eta vs tors. theta energy: -67.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -830.879188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.879188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.879188 (E_RNA)
where:
Base-Base interactions energy: -583.872
where: short stacking energy: -249.656
Base-Backbone interact. energy: 1.076
local terms energy: -248.082758
where:
bonds (distance) C4'-P energy: -46.239
bonds (distance) P-C4' energy: -40.836
flat angles C4'-P-C4' energy: -48.857
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -74.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -732.692172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.692172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.692172 (E_RNA)
where:
Base-Base interactions energy: -500.896
where: short stacking energy: -218.847
Base-Backbone interact. energy: -1.875
local terms energy: -229.921730
where:
bonds (distance) C4'-P energy: -41.870
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -47.544
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -68.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -713.351651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.351651 (E_RNA)
where:
Base-Base interactions energy: -502.456
where: short stacking energy: -223.889
Base-Backbone interact. energy: -1.137
local terms energy: -209.758616
where:
bonds (distance) C4'-P energy: -34.322
bonds (distance) P-C4' energy: -39.855
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -30.207
tors. eta vs tors. theta energy: -59.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -624.252023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.252023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.252023 (E_RNA)
where:
Base-Base interactions energy: -428.931
where: short stacking energy: -184.132
Base-Backbone interact. energy: -1.861
local terms energy: -193.460062
where:
bonds (distance) C4'-P energy: -41.126
bonds (distance) P-C4' energy: -41.478
flat angles C4'-P-C4' energy: -37.178
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -481.972118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.972118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.972118 (E_RNA)
where:
Base-Base interactions energy: -294.780
where: short stacking energy: -134.016
Base-Backbone interact. energy: -0.996
local terms energy: -186.196807
where:
bonds (distance) C4'-P energy: -35.531
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -45.914
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -33.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -411.660939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.660939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.660939 (E_RNA)
where:
Base-Base interactions energy: -248.794
where: short stacking energy: -124.447
Base-Backbone interact. energy: -0.608
local terms energy: -162.258696
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -30.307
flat angles C4'-P-C4' energy: -34.356
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -398.365816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.365816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.365816 (E_RNA)
where:
Base-Base interactions energy: -231.634
where: short stacking energy: -124.986
Base-Backbone interact. energy: -0.373
local terms energy: -166.358917
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -37.892
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -28.692
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -272.262072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.262072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.262072 (E_RNA)
where:
Base-Base interactions energy: -121.856
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.927
local terms energy: -149.479520
where:
bonds (distance) C4'-P energy: -36.573
bonds (distance) P-C4' energy: -45.243
flat angles C4'-P-C4' energy: -40.533
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -2.016
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: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -199.638824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.638824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.638824 (E_RNA)
where:
Base-Base interactions energy: -74.768
where: short stacking energy: -62.577
Base-Backbone interact. energy: -0.819
local terms energy: -124.051506
where:
bonds (distance) C4'-P energy: -41.845
bonds (distance) P-C4' energy: -31.311
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: 6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -874.449055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.449055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.449055 (E_RNA)
where:
Base-Base interactions energy: -611.506
where: short stacking energy: -250.254
Base-Backbone interact. energy: -1.768
local terms energy: -261.175113
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -48.585
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -34.899
tors. eta vs tors. theta energy: -74.317
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: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -796.077984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.077984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.077984 (E_RNA)
where:
Base-Base interactions energy: -555.520
where: short stacking energy: -219.746
Base-Backbone interact. energy: -1.743
local terms energy: -238.814457
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -49.143
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -64.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -751.306427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.306427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.306427 (E_RNA)
where:
Base-Base interactions energy: -512.212
where: short stacking energy: -221.803
Base-Backbone interact. energy: -1.869
local terms energy: -237.225342
where:
bonds (distance) C4'-P energy: -46.241
bonds (distance) P-C4' energy: -48.626
flat angles C4'-P-C4' energy: -47.872
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -66.927
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: 104
Temperature: 1.050000
Total energy: -718.609380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.609380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.609380 (E_RNA)
where:
Base-Base interactions energy: -486.171
where: short stacking energy: -212.405
Base-Backbone interact. energy: -0.218
local terms energy: -232.220266
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -47.374
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -66.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -614.249690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.249690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.249690 (E_RNA)
where:
Base-Base interactions energy: -418.242
where: short stacking energy: -179.348
Base-Backbone interact. energy: 0.740
local terms energy: -196.747342
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -45.976
flat angles C4'-P-C4' energy: -42.419
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -52.695
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: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -472.119674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.119674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.119674 (E_RNA)
where:
Base-Base interactions energy: -285.653
where: short stacking energy: -144.170
Base-Backbone interact. energy: -2.563
local terms energy: -183.903563
where:
bonds (distance) C4'-P energy: -29.074
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -43.012
flat angles P-C4'-P energy: -32.245
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: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -407.119862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.119862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.119862 (E_RNA)
where:
Base-Base interactions energy: -231.387
where: short stacking energy: -118.980
Base-Backbone interact. energy: 0.208
local terms energy: -175.940904
where:
bonds (distance) C4'-P energy: -40.642
bonds (distance) P-C4' energy: -49.016
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -26.611
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: 104
Temperature: 1.250000
Total energy: -379.031517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.031517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.031517 (E_RNA)
where:
Base-Base interactions energy: -225.521
where: short stacking energy: -119.664
Base-Backbone interact. energy: -1.405
local terms energy: -152.105842
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -40.824
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -230.694791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.694791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.694791 (E_RNA)
where:
Base-Base interactions energy: -86.727
where: short stacking energy: -85.495
Base-Backbone interact. energy: 0.657
local terms energy: -144.625306
where:
bonds (distance) C4'-P energy: -36.254
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -30.442
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -267.725086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.725086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.725086 (E_RNA)
where:
Base-Base interactions energy: -127.877
where: short stacking energy: -67.886
Base-Backbone interact. energy: -0.450
local terms energy: -139.398454
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -44.093
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: 4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -849.574306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.574306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.574306 (E_RNA)
where:
Base-Base interactions energy: -590.815
where: short stacking energy: -257.864
Base-Backbone interact. energy: -0.619
local terms energy: -258.140744
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -51.079
flat angles C4'-P-C4' energy: -54.962
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: -77.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -733.781701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.781701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.781701 (E_RNA)
where:
Base-Base interactions energy: -490.107
where: short stacking energy: -205.698
Base-Backbone interact. energy: -2.655
local terms energy: -241.019833
where:
bonds (distance) C4'-P energy: -45.704
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -47.058
flat angles P-C4'-P energy: -31.616
tors. eta vs tors. theta energy: -64.336
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: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -763.149691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.149691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.149691 (E_RNA)
where:
Base-Base interactions energy: -528.218
where: short stacking energy: -220.425
Base-Backbone interact. energy: -0.423
local terms energy: -234.509281
where:
bonds (distance) C4'-P energy: -49.366
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -48.469
flat angles P-C4'-P energy: -30.602
tors. eta vs tors. theta energy: -60.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -705.327892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.327892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.327892 (E_RNA)
where:
Base-Base interactions energy: -471.047
where: short stacking energy: -210.017
Base-Backbone interact. energy: -0.362
local terms energy: -233.918594
where:
bonds (distance) C4'-P energy: -40.963
bonds (distance) P-C4' energy: -49.843
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: -63.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -603.865110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.865110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.865110 (E_RNA)
where:
Base-Base interactions energy: -401.926
where: short stacking energy: -192.069
Base-Backbone interact. energy: -0.608
local terms energy: -201.331580
where:
bonds (distance) C4'-P energy: -46.805
bonds (distance) P-C4' energy: -36.646
flat angles C4'-P-C4' energy: -48.957
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -44.272
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: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -444.139603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.139603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.139603 (E_RNA)
where:
Base-Base interactions energy: -259.290
where: short stacking energy: -132.251
Base-Backbone interact. energy: -0.420
local terms energy: -184.429754
where:
bonds (distance) C4'-P energy: -44.190
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -44.617
flat angles P-C4'-P energy: -30.076
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: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -410.716561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.716561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.716561 (E_RNA)
where:
Base-Base interactions energy: -249.419
where: short stacking energy: -107.325
Base-Backbone interact. energy: -0.010
local terms energy: -161.287624
where:
bonds (distance) C4'-P energy: -39.696
bonds (distance) P-C4' energy: -43.467
flat angles C4'-P-C4' energy: -43.174
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -326.408943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.408943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.408943 (E_RNA)
where:
Base-Base interactions energy: -182.586
where: short stacking energy: -79.587
Base-Backbone interact. energy: -2.862
local terms energy: -140.961332
where:
bonds (distance) C4'-P energy: -33.747
bonds (distance) P-C4' energy: -43.366
flat angles C4'-P-C4' energy: -37.519
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -231.571219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.571219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.571219 (E_RNA)
where:
Base-Base interactions energy: -98.564
where: short stacking energy: -72.357
Base-Backbone interact. energy: -0.285
local terms energy: -132.721562
where:
bonds (distance) C4'-P energy: -35.122
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -47.289
flat angles P-C4'-P energy: -22.331
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -275.091414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.091414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.091414 (E_RNA)
where:
Base-Base interactions energy: -160.069
where: short stacking energy: -82.203
Base-Backbone interact. energy: 4.815
local terms energy: -119.838287
where:
bonds (distance) C4'-P energy: -34.068
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -864.014513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.014513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.014513 (E_RNA)
where:
Base-Base interactions energy: -597.582
where: short stacking energy: -262.923
Base-Backbone interact. energy: -0.245
local terms energy: -266.188242
where:
bonds (distance) C4'-P energy: -50.732
bonds (distance) P-C4' energy: -44.524
flat angles C4'-P-C4' energy: -54.441
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: -80.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -735.881389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.881389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.881389 (E_RNA)
where:
Base-Base interactions energy: -509.128
where: short stacking energy: -203.418
Base-Backbone interact. energy: -1.560
local terms energy: -225.193685
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -38.249
flat angles C4'-P-C4' energy: -56.716
flat angles P-C4'-P energy: -31.625
tors. eta vs tors. theta energy: -59.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -756.004082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.004082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.004082 (E_RNA)
where:
Base-Base interactions energy: -525.046
where: short stacking energy: -212.680
Base-Backbone interact. energy: -0.657
local terms energy: -230.301365
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -47.663
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -55.311
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: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -694.802777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.802777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.802777 (E_RNA)
where:
Base-Base interactions energy: -485.785
where: short stacking energy: -194.603
Base-Backbone interact. energy: -0.556
local terms energy: -208.461268
where:
bonds (distance) C4'-P energy: -34.325
bonds (distance) P-C4' energy: -36.466
flat angles C4'-P-C4' energy: -44.815
flat angles P-C4'-P energy: -34.240
tors. eta vs tors. theta energy: -58.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -647.507969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.507969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.507969 (E_RNA)
where:
Base-Base interactions energy: -419.508
where: short stacking energy: -176.524
Base-Backbone interact. energy: -1.089
local terms energy: -226.911296
where:
bonds (distance) C4'-P energy: -41.710
bonds (distance) P-C4' energy: -45.189
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -37.760
tors. eta vs tors. theta energy: -47.129
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: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -497.067861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.067861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.067861 (E_RNA)
where:
Base-Base interactions energy: -309.808
where: short stacking energy: -156.428
Base-Backbone interact. energy: -1.585
local terms energy: -185.674847
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -42.858
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -36.405
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: 106
Temperature: 1.200000
Total energy: -388.019733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.019733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.019733 (E_RNA)
where:
Base-Base interactions energy: -235.168
where: short stacking energy: -104.653
Base-Backbone interact. energy: -0.282
local terms energy: -152.570231
where:
bonds (distance) C4'-P energy: -38.906
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -31.749
flat angles P-C4'-P energy: -23.763
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -391.394331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.394331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.394331 (E_RNA)
where:
Base-Base interactions energy: -229.136
where: short stacking energy: -109.484
Base-Backbone interact. energy: -0.171
local terms energy: -162.087426
where:
bonds (distance) C4'-P energy: -43.126
bonds (distance) P-C4' energy: -46.882
flat angles C4'-P-C4' energy: -25.555
flat angles P-C4'-P energy: -25.642
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: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -278.129199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.129199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.129199 (E_RNA)
where:
Base-Base interactions energy: -138.851
where: short stacking energy: -69.967
Base-Backbone interact. energy: -1.214
local terms energy: -138.064686
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -229.553950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.553950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.553950 (E_RNA)
where:
Base-Base interactions energy: -96.076
where: short stacking energy: -62.586
Base-Backbone interact. energy: 0.322
local terms energy: -133.799986
where:
bonds (distance) C4'-P energy: -36.658
bonds (distance) P-C4' energy: -48.473
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: 0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -856.899492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.899492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.899492 (E_RNA)
where:
Base-Base interactions energy: -616.420
where: short stacking energy: -253.536
Base-Backbone interact. energy: -0.441
local terms energy: -240.038198
where:
bonds (distance) C4'-P energy: -43.179
bonds (distance) P-C4' energy: -44.401
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -38.204
tors. eta vs tors. theta energy: -67.972
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: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -762.775974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.775974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.775974 (E_RNA)
where:
Base-Base interactions energy: -525.771
where: short stacking energy: -218.355
Base-Backbone interact. energy: -0.890
local terms energy: -236.115147
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -58.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -749.442432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.442432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.442432 (E_RNA)
where:
Base-Base interactions energy: -519.659
where: short stacking energy: -208.008
Base-Backbone interact. energy: -1.805
local terms energy: -227.978075
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -42.890
flat angles C4'-P-C4' energy: -52.457
flat angles P-C4'-P energy: -23.265
tors. eta vs tors. theta energy: -64.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -694.798659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.798659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.798659 (E_RNA)
where:
Base-Base interactions energy: -470.519
where: short stacking energy: -207.190
Base-Backbone interact. energy: 1.448
local terms energy: -225.727158
where:
bonds (distance) C4'-P energy: -39.525
bonds (distance) P-C4' energy: -44.541
flat angles C4'-P-C4' energy: -51.076
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -58.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -588.737817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.737817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.737817 (E_RNA)
where:
Base-Base interactions energy: -370.346
where: short stacking energy: -177.897
Base-Backbone interact. energy: -1.100
local terms energy: -217.291859
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -46.367
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -48.497
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: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -466.954131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.954131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.954131 (E_RNA)
where:
Base-Base interactions energy: -289.797
where: short stacking energy: -136.024
Base-Backbone interact. energy: -0.945
local terms energy: -176.211828
where:
bonds (distance) C4'-P energy: -35.850
bonds (distance) P-C4' energy: -43.441
flat angles C4'-P-C4' energy: -45.524
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -27.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -367.612617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.612617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.612617 (E_RNA)
where:
Base-Base interactions energy: -211.619
where: short stacking energy: -122.372
Base-Backbone interact. energy: 0.146
local terms energy: -156.140326
where:
bonds (distance) C4'-P energy: -36.708
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -41.807
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -409.726468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.726468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.726468 (E_RNA)
where:
Base-Base interactions energy: -235.953
where: short stacking energy: -134.598
Base-Backbone interact. energy: 0.620
local terms energy: -174.393143
where:
bonds (distance) C4'-P energy: -28.948
bonds (distance) P-C4' energy: -40.652
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -24.844
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: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -272.059109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.059109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.059109 (E_RNA)
where:
Base-Base interactions energy: -128.293
where: short stacking energy: -83.029
Base-Backbone interact. energy: -2.013
local terms energy: -141.753182
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -43.876
flat angles C4'-P-C4' energy: -25.621
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -209.328235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.328235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.328235 (E_RNA)
where:
Base-Base interactions energy: -68.524
where: short stacking energy: -56.781
Base-Backbone interact. energy: -0.237
local terms energy: -140.567285
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: 6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -855.547963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.547963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.547963 (E_RNA)
where:
Base-Base interactions energy: -598.616
where: short stacking energy: -263.732
Base-Backbone interact. energy: -1.005
local terms energy: -255.927578
where:
bonds (distance) C4'-P energy: -43.701
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -55.427
flat angles P-C4'-P energy: -34.914
tors. eta vs tors. theta energy: -78.991
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -768.884228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.884228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.884228 (E_RNA)
where:
Base-Base interactions energy: -538.146
where: short stacking energy: -217.724
Base-Backbone interact. energy: -1.623
local terms energy: -229.114675
where:
bonds (distance) C4'-P energy: -44.647
bonds (distance) P-C4' energy: -48.452
flat angles C4'-P-C4' energy: -45.929
flat angles P-C4'-P energy: -33.667
tors. eta vs tors. theta energy: -56.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -699.622255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.622255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.622255 (E_RNA)
where:
Base-Base interactions energy: -469.057
where: short stacking energy: -205.238
Base-Backbone interact. energy: -0.634
local terms energy: -229.931248
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -42.999
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -58.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -754.973009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.973009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.973009 (E_RNA)
where:
Base-Base interactions energy: -516.697
where: short stacking energy: -224.275
Base-Backbone interact. energy: -1.861
local terms energy: -236.414790
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -42.209
flat angles C4'-P-C4' energy: -53.615
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -67.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -584.579848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.579848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.579848 (E_RNA)
where:
Base-Base interactions energy: -377.068
where: short stacking energy: -178.788
Base-Backbone interact. energy: -0.777
local terms energy: -206.735179
where:
bonds (distance) C4'-P energy: -37.846
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -42.583
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -47.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -487.497515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.497515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.497515 (E_RNA)
where:
Base-Base interactions energy: -290.682
where: short stacking energy: -159.083
Base-Backbone interact. energy: -0.536
local terms energy: -196.279618
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -44.462
flat angles C4'-P-C4' energy: -45.550
flat angles P-C4'-P energy: -30.462
tors. eta vs tors. theta energy: -44.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -416.599429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.599429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.599429 (E_RNA)
where:
Base-Base interactions energy: -231.259
where: short stacking energy: -127.930
Base-Backbone interact. energy: 0.030
local terms energy: -185.369667
where:
bonds (distance) C4'-P energy: -42.878
bonds (distance) P-C4' energy: -43.205
flat angles C4'-P-C4' energy: -41.047
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -35.598
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: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -367.508550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.508550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.508550 (E_RNA)
where:
Base-Base interactions energy: -203.509
where: short stacking energy: -118.554
Base-Backbone interact. energy: -0.640
local terms energy: -163.359720
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -50.722
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -316.031188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.031188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.031188 (E_RNA)
where:
Base-Base interactions energy: -159.081
where: short stacking energy: -101.695
Base-Backbone interact. energy: -0.385
local terms energy: -156.565038
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -42.706
flat angles C4'-P-C4' energy: -40.193
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -22.661
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: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -205.808946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.808946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.808946 (E_RNA)
where:
Base-Base interactions energy: -85.572
where: short stacking energy: -84.293
Base-Backbone interact. energy: -2.154
local terms energy: -118.082535
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -42.286
flat angles C4'-P-C4' energy: -35.274
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: 6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -861.870496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.870496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.870496 (E_RNA)
where:
Base-Base interactions energy: -611.920
where: short stacking energy: -258.795
Base-Backbone interact. energy: -0.169
local terms energy: -249.781516
where:
bonds (distance) C4'-P energy: -47.080
bonds (distance) P-C4' energy: -43.141
flat angles C4'-P-C4' energy: -50.781
flat angles P-C4'-P energy: -31.057
tors. eta vs tors. theta energy: -77.723
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: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -775.018692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.018692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.018692 (E_RNA)
where:
Base-Base interactions energy: -538.849
where: short stacking energy: -230.576
Base-Backbone interact. energy: -0.480
local terms energy: -235.689709
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -48.904
flat angles P-C4'-P energy: -35.286
tors. eta vs tors. theta energy: -61.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -726.906472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.906472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.906472 (E_RNA)
where:
Base-Base interactions energy: -484.159
where: short stacking energy: -216.605
Base-Backbone interact. energy: -0.572
local terms energy: -242.174569
where:
bonds (distance) C4'-P energy: -49.660
bonds (distance) P-C4' energy: -44.714
flat angles C4'-P-C4' energy: -49.872
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -60.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -761.522369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.522369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.522369 (E_RNA)
where:
Base-Base interactions energy: -537.123
where: short stacking energy: -223.937
Base-Backbone interact. energy: -1.137
local terms energy: -223.262557
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -35.601
flat angles C4'-P-C4' energy: -48.032
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -70.759
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: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -599.136528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.136528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.136528 (E_RNA)
where:
Base-Base interactions energy: -395.626
where: short stacking energy: -173.303
Base-Backbone interact. energy: -0.606
local terms energy: -202.905159
where:
bonds (distance) C4'-P energy: -38.439
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -45.986
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -49.446
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: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -470.798677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.798677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.798677 (E_RNA)
where:
Base-Base interactions energy: -267.665
where: short stacking energy: -131.990
Base-Backbone interact. energy: -0.380
local terms energy: -202.754491
where:
bonds (distance) C4'-P energy: -46.480
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -48.880
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -37.806
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: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -394.723499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.723499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.723499 (E_RNA)
where:
Base-Base interactions energy: -217.203
where: short stacking energy: -111.129
Base-Backbone interact. energy: -0.795
local terms energy: -176.725247
where:
bonds (distance) C4'-P energy: -47.338
bonds (distance) P-C4' energy: -54.860
flat angles C4'-P-C4' energy: -26.361
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -379.465421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.465421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.465421 (E_RNA)
where:
Base-Base interactions energy: -242.152
where: short stacking energy: -124.909
Base-Backbone interact. energy: -0.731
local terms energy: -136.582161
where:
bonds (distance) C4'-P energy: -35.014
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -35.392
flat angles P-C4'-P energy: -24.792
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -272.259868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.259868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.259868 (E_RNA)
where:
Base-Base interactions energy: -141.285
where: short stacking energy: -85.669
Base-Backbone interact. energy: 1.881
local terms energy: -132.855644
where:
bonds (distance) C4'-P energy: -44.065
bonds (distance) P-C4' energy: -38.817
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -18.206
tors. eta vs tors. theta energy: -11.333
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: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -205.524720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.524720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.524720 (E_RNA)
where:
Base-Base interactions energy: -73.599
where: short stacking energy: -61.101
Base-Backbone interact. energy: -1.723
local terms energy: -130.203155
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -24.690
tors. eta vs tors. theta energy: 11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -845.983078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.983078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.983078 (E_RNA)
where:
Base-Base interactions energy: -595.297
where: short stacking energy: -244.056
Base-Backbone interact. energy: -1.402
local terms energy: -249.284107
where:
bonds (distance) C4'-P energy: -43.429
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: -74.249
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -755.066077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.066077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.066077 (E_RNA)
where:
Base-Base interactions energy: -526.847
where: short stacking energy: -208.736
Base-Backbone interact. energy: -0.632
local terms energy: -227.586696
where:
bonds (distance) C4'-P energy: -45.525
bonds (distance) P-C4' energy: -42.592
flat angles C4'-P-C4' energy: -44.393
flat angles P-C4'-P energy: -35.092
tors. eta vs tors. theta energy: -59.985
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -781.231818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.231818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.231818 (E_RNA)
where:
Base-Base interactions energy: -548.879
where: short stacking energy: -237.084
Base-Backbone interact. energy: -1.629
local terms energy: -230.723854
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -42.317
flat angles C4'-P-C4' energy: -52.318
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: -66.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -718.256322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.256322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.256322 (E_RNA)
where:
Base-Base interactions energy: -496.403
where: short stacking energy: -200.482
Base-Backbone interact. energy: -1.409
local terms energy: -220.444524
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -46.771
flat angles P-C4'-P energy: -37.648
tors. eta vs tors. theta energy: -57.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -571.185242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.185242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.185242 (E_RNA)
where:
Base-Base interactions energy: -378.801
where: short stacking energy: -165.485
Base-Backbone interact. energy: -0.184
local terms energy: -192.200504
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -39.973
flat angles C4'-P-C4' energy: -41.831
flat angles P-C4'-P energy: -28.463
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: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -430.478301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.478301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.478301 (E_RNA)
where:
Base-Base interactions energy: -269.017
where: short stacking energy: -147.268
Base-Backbone interact. energy: -0.705
local terms energy: -160.755686
where:
bonds (distance) C4'-P energy: -35.224
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -32.325
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: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -378.500304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.500304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.500304 (E_RNA)
where:
Base-Base interactions energy: -206.329
where: short stacking energy: -102.983
Base-Backbone interact. energy: -0.996
local terms energy: -171.175309
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -42.318
flat angles C4'-P-C4' energy: -37.900
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -346.598795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.598795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.598795 (E_RNA)
where:
Base-Base interactions energy: -177.188
where: short stacking energy: -105.295
Base-Backbone interact. energy: -0.174
local terms energy: -169.236737
where:
bonds (distance) C4'-P energy: -37.712
bonds (distance) P-C4' energy: -43.008
flat angles C4'-P-C4' energy: -38.146
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -214.794106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.794106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.794106 (E_RNA)
where:
Base-Base interactions energy: -100.556
where: short stacking energy: -84.647
Base-Backbone interact. energy: 7.322
local terms energy: -121.559540
where:
bonds (distance) C4'-P energy: -43.758
bonds (distance) P-C4' energy: -41.802
flat angles C4'-P-C4' energy: -27.237
flat angles P-C4'-P energy: -16.033
tors. eta vs tors. theta energy: 7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -233.881897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.881897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.881897 (E_RNA)
where:
Base-Base interactions energy: -94.379
where: short stacking energy: -53.195
Base-Backbone interact. energy: -0.993
local terms energy: -138.509869
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -49.429
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: 8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -861.436327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.436327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.436327 (E_RNA)
where:
Base-Base interactions energy: -602.586
where: short stacking energy: -253.789
Base-Backbone interact. energy: -0.477
local terms energy: -258.373582
where:
bonds (distance) C4'-P energy: -44.629
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -49.648
flat angles P-C4'-P energy: -40.832
tors. eta vs tors. theta energy: -77.200
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: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -783.845297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.845297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.845297 (E_RNA)
where:
Base-Base interactions energy: -541.520
where: short stacking energy: -233.244
Base-Backbone interact. energy: -0.590
local terms energy: -241.735317
where:
bonds (distance) C4'-P energy: -44.964
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -52.460
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -69.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -759.176074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.176074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.176074 (E_RNA)
where:
Base-Base interactions energy: -529.759
where: short stacking energy: -219.115
Base-Backbone interact. energy: -1.459
local terms energy: -227.958109
where:
bonds (distance) C4'-P energy: -41.527
bonds (distance) P-C4' energy: -45.136
flat angles C4'-P-C4' energy: -43.615
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -64.344
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: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -717.429165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.429165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.429165 (E_RNA)
where:
Base-Base interactions energy: -487.989
where: short stacking energy: -211.968
Base-Backbone interact. energy: -0.304
local terms energy: -229.135843
where:
bonds (distance) C4'-P energy: -43.887
bonds (distance) P-C4' energy: -41.282
flat angles C4'-P-C4' energy: -46.456
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -64.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -577.441661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.441661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.441661 (E_RNA)
where:
Base-Base interactions energy: -378.952
where: short stacking energy: -182.776
Base-Backbone interact. energy: -0.467
local terms energy: -198.023300
where:
bonds (distance) C4'-P energy: -41.585
bonds (distance) P-C4' energy: -35.159
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -418.454748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.454748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.454748 (E_RNA)
where:
Base-Base interactions energy: -266.516
where: short stacking energy: -120.495
Base-Backbone interact. energy: 1.969
local terms energy: -153.907773
where:
bonds (distance) C4'-P energy: -42.625
bonds (distance) P-C4' energy: -37.489
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -424.073632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.073632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.073632 (E_RNA)
where:
Base-Base interactions energy: -250.198
where: short stacking energy: -125.834
Base-Backbone interact. energy: -0.411
local terms energy: -173.464565
where:
bonds (distance) C4'-P energy: -36.096
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -51.564
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -25.872
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: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -373.744953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.744953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.744953 (E_RNA)
where:
Base-Base interactions energy: -199.941
where: short stacking energy: -116.783
Base-Backbone interact. energy: -0.612
local terms energy: -173.192600
where:
bonds (distance) C4'-P energy: -40.414
bonds (distance) P-C4' energy: -35.873
flat angles C4'-P-C4' energy: -43.263
flat angles P-C4'-P energy: -29.658
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: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -216.558276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.558276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.558276 (E_RNA)
where:
Base-Base interactions energy: -95.768
where: short stacking energy: -72.920
Base-Backbone interact. energy: -0.689
local terms energy: -120.101151
where:
bonds (distance) C4'-P energy: -42.449
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -25.627
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: 4.061
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: 111
Temperature: 1.350000
Total energy: -213.260723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.260723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.260723 (E_RNA)
where:
Base-Base interactions energy: -76.126
where: short stacking energy: -73.936
Base-Backbone interact. energy: -0.322
local terms energy: -136.812535
where:
bonds (distance) C4'-P energy: -38.348
bonds (distance) P-C4' energy: -42.875
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -872.738508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.738508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.738508 (E_RNA)
where:
Base-Base interactions energy: -617.051
where: short stacking energy: -260.979
Base-Backbone interact. energy: -0.322
local terms energy: -255.365732
where:
bonds (distance) C4'-P energy: -40.450
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -78.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -783.859593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.859593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.859593 (E_RNA)
where:
Base-Base interactions energy: -542.243
where: short stacking energy: -233.978
Base-Backbone interact. energy: -1.190
local terms energy: -240.427234
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -39.305
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -32.561
tors. eta vs tors. theta energy: -68.443
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: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -757.959094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.959094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.959094 (E_RNA)
where:
Base-Base interactions energy: -543.622
where: short stacking energy: -219.969
Base-Backbone interact. energy: 0.458
local terms energy: -214.795165
where:
bonds (distance) C4'-P energy: -42.078
bonds (distance) P-C4' energy: -34.930
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -56.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -734.454456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.454456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.454456 (E_RNA)
where:
Base-Base interactions energy: -494.509
where: short stacking energy: -211.805
Base-Backbone interact. energy: -0.395
local terms energy: -239.550093
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -52.694
flat angles C4'-P-C4' energy: -48.051
flat angles P-C4'-P energy: -32.243
tors. eta vs tors. theta energy: -65.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -586.546021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.546021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.546021 (E_RNA)
where:
Base-Base interactions energy: -374.447
where: short stacking energy: -180.264
Base-Backbone interact. energy: -1.052
local terms energy: -211.046506
where:
bonds (distance) C4'-P energy: -47.074
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -26.547
tors. eta vs tors. theta energy: -52.506
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: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -401.713765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.713765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.713765 (E_RNA)
where:
Base-Base interactions energy: -237.294
where: short stacking energy: -123.410
Base-Backbone interact. energy: -1.369
local terms energy: -163.050977
where:
bonds (distance) C4'-P energy: -34.970
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -33.943
flat angles P-C4'-P energy: -30.584
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: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -439.071772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.071772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.071772 (E_RNA)
where:
Base-Base interactions energy: -278.590
where: short stacking energy: -133.893
Base-Backbone interact. energy: -0.679
local terms energy: -159.802682
where:
bonds (distance) C4'-P energy: -41.205
bonds (distance) P-C4' energy: -38.094
flat angles C4'-P-C4' energy: -34.016
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -29.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -373.453595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.453595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.453595 (E_RNA)
where:
Base-Base interactions energy: -205.869
where: short stacking energy: -107.551
Base-Backbone interact. energy: 0.829
local terms energy: -168.413718
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -36.003
flat angles P-C4'-P energy: -31.975
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -208.938442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.938442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.938442 (E_RNA)
where:
Base-Base interactions energy: -68.894
where: short stacking energy: -58.200
Base-Backbone interact. energy: -2.218
local terms energy: -137.826865
where:
bonds (distance) C4'-P energy: -34.793
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -41.186
flat angles P-C4'-P energy: -32.095
tors. eta vs tors. theta energy: 2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -234.759085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.759085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.759085 (E_RNA)
where:
Base-Base interactions energy: -100.883
where: short stacking energy: -72.487
Base-Backbone interact. energy: -1.727
local terms energy: -132.149052
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -41.643
flat angles C4'-P-C4' energy: -39.424
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -876.647963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.647963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.647963 (E_RNA)
where:
Base-Base interactions energy: -608.787
where: short stacking energy: -256.845
Base-Backbone interact. energy: -0.218
local terms energy: -267.643646
where:
bonds (distance) C4'-P energy: -41.730
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -56.744
flat angles P-C4'-P energy: -37.011
tors. eta vs tors. theta energy: -81.488
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: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -773.555456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.555456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.555456 (E_RNA)
where:
Base-Base interactions energy: -527.046
where: short stacking energy: -230.783
Base-Backbone interact. energy: -2.264
local terms energy: -244.245104
where:
bonds (distance) C4'-P energy: -45.124
bonds (distance) P-C4' energy: -40.940
flat angles C4'-P-C4' energy: -53.969
flat angles P-C4'-P energy: -32.477
tors. eta vs tors. theta energy: -71.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -778.948592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.948592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.948592 (E_RNA)
where:
Base-Base interactions energy: -547.785
where: short stacking energy: -221.776
Base-Backbone interact. energy: -0.536
local terms energy: -230.627423
where:
bonds (distance) C4'-P energy: -38.204
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -57.653
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: 113
Temperature: 1.050000
Total energy: -710.947811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.947811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.947811 (E_RNA)
where:
Base-Base interactions energy: -473.258
where: short stacking energy: -196.799
Base-Backbone interact. energy: -0.743
local terms energy: -236.945943
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -53.524
flat angles C4'-P-C4' energy: -48.512
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: -62.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -578.750570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.750570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.750570 (E_RNA)
where:
Base-Base interactions energy: -373.949
where: short stacking energy: -186.195
Base-Backbone interact. energy: 0.702
local terms energy: -205.503377
where:
bonds (distance) C4'-P energy: -45.774
bonds (distance) P-C4' energy: -42.143
flat angles C4'-P-C4' energy: -37.670
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -44.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -481.907156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.907156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.907156 (E_RNA)
where:
Base-Base interactions energy: -292.682
where: short stacking energy: -138.626
Base-Backbone interact. energy: -1.094
local terms energy: -188.131270
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -44.787
flat angles C4'-P-C4' energy: -50.529
flat angles P-C4'-P energy: -27.205
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -442.364247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.364247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.364247 (E_RNA)
where:
Base-Base interactions energy: -271.867
where: short stacking energy: -136.953
Base-Backbone interact. energy: -0.787
local terms energy: -169.710613
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -43.115
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -383.167680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.167680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.167680 (E_RNA)
where:
Base-Base interactions energy: -215.332
where: short stacking energy: -104.138
Base-Backbone interact. energy: -1.661
local terms energy: -166.175141
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -41.544
flat angles C4'-P-C4' energy: -40.555
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -230.176858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.176858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.176858 (E_RNA)
where:
Base-Base interactions energy: -85.752
where: short stacking energy: -70.101
Base-Backbone interact. energy: -1.628
local terms energy: -142.797787
where:
bonds (distance) C4'-P energy: -25.516
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -27.346
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: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -249.770151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.770151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.770151 (E_RNA)
where:
Base-Base interactions energy: -100.852
where: short stacking energy: -56.505
Base-Backbone interact. energy: 0.228
local terms energy: -149.146287
where:
bonds (distance) C4'-P energy: -40.951
bonds (distance) P-C4' energy: -38.804
flat angles C4'-P-C4' energy: -39.069
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -868.855053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.855053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.855053 (E_RNA)
where:
Base-Base interactions energy: -605.441
where: short stacking energy: -250.831
Base-Backbone interact. energy: -0.298
local terms energy: -263.116637
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -43.906
flat angles C4'-P-C4' energy: -52.906
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -80.554
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -789.254265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.254265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.254265 (E_RNA)
where:
Base-Base interactions energy: -534.713
where: short stacking energy: -231.909
Base-Backbone interact. energy: -3.798
local terms energy: -250.743592
where:
bonds (distance) C4'-P energy: -51.444
bonds (distance) P-C4' energy: -41.736
flat angles C4'-P-C4' energy: -50.774
flat angles P-C4'-P energy: -36.558
tors. eta vs tors. theta energy: -70.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -721.473257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.473257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.473257 (E_RNA)
where:
Base-Base interactions energy: -494.497
where: short stacking energy: -218.268
Base-Backbone interact. energy: -0.880
local terms energy: -226.095999
where:
bonds (distance) C4'-P energy: -40.328
bonds (distance) P-C4' energy: -40.369
flat angles C4'-P-C4' energy: -47.942
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -65.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -749.457748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.457748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.457748 (E_RNA)
where:
Base-Base interactions energy: -536.409
where: short stacking energy: -204.488
Base-Backbone interact. energy: -1.733
local terms energy: -211.315862
where:
bonds (distance) C4'-P energy: -33.557
bonds (distance) P-C4' energy: -42.421
flat angles C4'-P-C4' energy: -48.386
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: -49.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -584.296668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.296668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.296668 (E_RNA)
where:
Base-Base interactions energy: -380.725
where: short stacking energy: -183.037
Base-Backbone interact. energy: 0.540
local terms energy: -204.112164
where:
bonds (distance) C4'-P energy: -40.233
bonds (distance) P-C4' energy: -44.684
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -29.538
tors. eta vs tors. theta energy: -50.473
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: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -536.870843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.870843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.870843 (E_RNA)
where:
Base-Base interactions energy: -342.643
where: short stacking energy: -146.631
Base-Backbone interact. energy: -1.114
local terms energy: -193.113244
where:
bonds (distance) C4'-P energy: -37.044
bonds (distance) P-C4' energy: -44.649
flat angles C4'-P-C4' energy: -43.195
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: -35.259
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: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -444.158461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.158461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.158461 (E_RNA)
where:
Base-Base interactions energy: -275.610
where: short stacking energy: -116.803
Base-Backbone interact. energy: -1.113
local terms energy: -167.435441
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -420.454471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.454471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.454471 (E_RNA)
where:
Base-Base interactions energy: -247.862
where: short stacking energy: -118.195
Base-Backbone interact. energy: 1.579
local terms energy: -174.171438
where:
bonds (distance) C4'-P energy: -43.030
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -35.782
flat angles P-C4'-P energy: -24.754
tors. eta vs tors. theta energy: -26.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -215.480277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.480277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.480277 (E_RNA)
where:
Base-Base interactions energy: -91.158
where: short stacking energy: -84.292
Base-Backbone interact. energy: 1.194
local terms energy: -125.516258
where:
bonds (distance) C4'-P energy: -24.827
bonds (distance) P-C4' energy: -40.222
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: 3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -192.586271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.586271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.586271 (E_RNA)
where:
Base-Base interactions energy: -70.868
where: short stacking energy: -62.682
Base-Backbone interact. energy: -0.709
local terms energy: -121.009186
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -30.173
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: 7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -873.803456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.803456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.803456 (E_RNA)
where:
Base-Base interactions energy: -612.077
where: short stacking energy: -253.488
Base-Backbone interact. energy: -0.456
local terms energy: -261.270338
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -41.550
flat angles C4'-P-C4' energy: -50.331
flat angles P-C4'-P energy: -45.138
tors. eta vs tors. theta energy: -78.677
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: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -801.761084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.761084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.761084 (E_RNA)
where:
Base-Base interactions energy: -550.378
where: short stacking energy: -231.626
Base-Backbone interact. energy: -2.048
local terms energy: -249.334599
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -48.936
flat angles C4'-P-C4' energy: -51.961
flat angles P-C4'-P energy: -33.395
tors. eta vs tors. theta energy: -69.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -722.445668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.445668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.445668 (E_RNA)
where:
Base-Base interactions energy: -485.223
where: short stacking energy: -214.206
Base-Backbone interact. energy: -0.627
local terms energy: -236.595356
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -46.635
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -63.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -764.604272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.604272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.604272 (E_RNA)
where:
Base-Base interactions energy: -531.857
where: short stacking energy: -203.800
Base-Backbone interact. energy: -1.103
local terms energy: -231.644014
where:
bonds (distance) C4'-P energy: -37.636
bonds (distance) P-C4' energy: -48.272
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -34.301
tors. eta vs tors. theta energy: -56.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -604.489740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.489740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.489740 (E_RNA)
where:
Base-Base interactions energy: -400.519
where: short stacking energy: -182.446
Base-Backbone interact. energy: 0.704
local terms energy: -204.674828
where:
bonds (distance) C4'-P energy: -39.322
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -45.001
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -46.211
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: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -524.178491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.178491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.178491 (E_RNA)
where:
Base-Base interactions energy: -330.383
where: short stacking energy: -149.553
Base-Backbone interact. energy: -0.076
local terms energy: -193.720284
where:
bonds (distance) C4'-P energy: -43.491
bonds (distance) P-C4' energy: -39.344
flat angles C4'-P-C4' energy: -43.229
flat angles P-C4'-P energy: -26.246
tors. eta vs tors. theta energy: -41.410
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: 115
Temperature: 1.200000
Total energy: -472.683141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.683141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.683141 (E_RNA)
where:
Base-Base interactions energy: -311.347
where: short stacking energy: -127.887
Base-Backbone interact. energy: -0.651
local terms energy: -160.685094
where:
bonds (distance) C4'-P energy: -35.462
bonds (distance) P-C4' energy: -41.565
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -388.410441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.410441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.410441 (E_RNA)
where:
Base-Base interactions energy: -210.046
where: short stacking energy: -125.615
Base-Backbone interact. energy: -0.546
local terms energy: -177.818826
where:
bonds (distance) C4'-P energy: -40.029
bonds (distance) P-C4' energy: -44.898
flat angles C4'-P-C4' energy: -31.284
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -34.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -216.347196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.347196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.347196 (E_RNA)
where:
Base-Base interactions energy: -74.742
where: short stacking energy: -71.406
Base-Backbone interact. energy: 0.591
local terms energy: -142.196460
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -42.004
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -11.719
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: 115
Temperature: 1.350000
Total energy: -212.088945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.088945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.088945 (E_RNA)
where:
Base-Base interactions energy: -80.968
where: short stacking energy: -71.921
Base-Backbone interact. energy: -0.087
local terms energy: -131.034013
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -38.182
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -3.047
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: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -879.858186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.858186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.858186 (E_RNA)
where:
Base-Base interactions energy: -620.691
where: short stacking energy: -262.373
Base-Backbone interact. energy: -0.843
local terms energy: -258.324728
where:
bonds (distance) C4'-P energy: -42.118
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -49.043
flat angles P-C4'-P energy: -43.742
tors. eta vs tors. theta energy: -80.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -818.836439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.836439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.836439 (E_RNA)
where:
Base-Base interactions energy: -558.828
where: short stacking energy: -246.787
Base-Backbone interact. energy: -1.037
local terms energy: -258.970542
where:
bonds (distance) C4'-P energy: -45.182
bonds (distance) P-C4' energy: -40.231
flat angles C4'-P-C4' energy: -54.690
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -80.218
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: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -791.402248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.402248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.402248 (E_RNA)
where:
Base-Base interactions energy: -556.918
where: short stacking energy: -233.552
Base-Backbone interact. energy: -0.313
local terms energy: -234.171133
where:
bonds (distance) C4'-P energy: -42.361
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -48.123
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -59.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -695.209114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.209114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.209114 (E_RNA)
where:
Base-Base interactions energy: -476.883
where: short stacking energy: -203.189
Base-Backbone interact. energy: -0.241
local terms energy: -218.085468
where:
bonds (distance) C4'-P energy: -43.033
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -50.493
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -57.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -638.166078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.166078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.166078 (E_RNA)
where:
Base-Base interactions energy: -426.062
where: short stacking energy: -183.863
Base-Backbone interact. energy: -1.214
local terms energy: -210.889937
where:
bonds (distance) C4'-P energy: -41.997
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -46.914
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -53.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -517.475709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.475709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.475709 (E_RNA)
where:
Base-Base interactions energy: -324.851
where: short stacking energy: -136.003
Base-Backbone interact. energy: -1.302
local terms energy: -191.322635
where:
bonds (distance) C4'-P energy: -36.719
bonds (distance) P-C4' energy: -43.904
flat angles C4'-P-C4' energy: -48.073
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -34.467
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: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -415.485714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.485714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.485714 (E_RNA)
where:
Base-Base interactions energy: -240.659
where: short stacking energy: -124.955
Base-Backbone interact. energy: -1.058
local terms energy: -173.768874
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -37.738
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -30.559
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: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -446.221120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.221120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.221120 (E_RNA)
where:
Base-Base interactions energy: -290.316
where: short stacking energy: -133.619
Base-Backbone interact. energy: -0.686
local terms energy: -155.218902
where:
bonds (distance) C4'-P energy: -34.237
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -42.145
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -21.809
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: 116
Temperature: 1.300000
Total energy: -234.895389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.895389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.895389 (E_RNA)
where:
Base-Base interactions energy: -95.647
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.486
local terms energy: -138.762337
where:
bonds (distance) C4'-P energy: -40.762
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -39.055
flat angles P-C4'-P energy: -20.983
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: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -194.362773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.362773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.362773 (E_RNA)
where:
Base-Base interactions energy: -58.807
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.480
local terms energy: -135.075143
where:
bonds (distance) C4'-P energy: -37.337
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -26.998
tors. eta vs tors. theta energy: 6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -868.291463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.291463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.291463 (E_RNA)
where:
Base-Base interactions energy: -600.981
where: short stacking energy: -253.838
Base-Backbone interact. energy: -0.264
local terms energy: -267.046735
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -52.619
flat angles C4'-P-C4' energy: -52.673
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -78.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -793.940194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.940194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.940194 (E_RNA)
where:
Base-Base interactions energy: -543.209
where: short stacking energy: -233.022
Base-Backbone interact. energy: -1.422
local terms energy: -249.309107
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -51.558
flat angles P-C4'-P energy: -32.034
tors. eta vs tors. theta energy: -70.278
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: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -785.414709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.414709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.414709 (E_RNA)
where:
Base-Base interactions energy: -556.347
where: short stacking energy: -230.241
Base-Backbone interact. energy: -0.901
local terms energy: -228.166875
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -41.412
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -61.636
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: 117
Temperature: 1.050000
Total energy: -710.562006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.562006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.562006 (E_RNA)
where:
Base-Base interactions energy: -489.688
where: short stacking energy: -210.973
Base-Backbone interact. energy: -1.363
local terms energy: -219.510539
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -40.931
flat angles P-C4'-P energy: -36.007
tors. eta vs tors. theta energy: -64.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -633.877292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.877292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.877292 (E_RNA)
where:
Base-Base interactions energy: -436.715
where: short stacking energy: -201.029
Base-Backbone interact. energy: 0.532
local terms energy: -197.694598
where:
bonds (distance) C4'-P energy: -38.368
bonds (distance) P-C4' energy: -34.759
flat angles C4'-P-C4' energy: -45.307
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -53.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -505.687997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.687997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.687997 (E_RNA)
where:
Base-Base interactions energy: -302.384
where: short stacking energy: -142.467
Base-Backbone interact. energy: -0.401
local terms energy: -202.903039
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -50.659
flat angles C4'-P-C4' energy: -47.554
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -33.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -465.255583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.255583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.255583 (E_RNA)
where:
Base-Base interactions energy: -265.916
where: short stacking energy: -146.728
Base-Backbone interact. energy: -1.001
local terms energy: -198.338666
where:
bonds (distance) C4'-P energy: -40.617
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -40.189
flat angles P-C4'-P energy: -31.783
tors. eta vs tors. theta energy: -39.123
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: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -440.771501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.771501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.771501 (E_RNA)
where:
Base-Base interactions energy: -276.374
where: short stacking energy: -125.790
Base-Backbone interact. energy: 0.097
local terms energy: -164.494946
where:
bonds (distance) C4'-P energy: -33.211
bonds (distance) P-C4' energy: -44.969
flat angles C4'-P-C4' energy: -40.427
flat angles P-C4'-P energy: -29.444
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -210.143395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.143395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.143395 (E_RNA)
where:
Base-Base interactions energy: -74.748
where: short stacking energy: -74.405
Base-Backbone interact. energy: -1.004
local terms energy: -134.391164
where:
bonds (distance) C4'-P energy: -31.676
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -34.220
flat angles P-C4'-P energy: -27.365
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -217.688422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.688422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.688422 (E_RNA)
where:
Base-Base interactions energy: -89.417
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.423
local terms energy: -127.848525
where:
bonds (distance) C4'-P energy: -30.285
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -869.450131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.450131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.450131 (E_RNA)
where:
Base-Base interactions energy: -598.841
where: short stacking energy: -251.929
Base-Backbone interact. energy: -0.511
local terms energy: -270.099058
where:
bonds (distance) C4'-P energy: -50.275
bonds (distance) P-C4' energy: -51.027
flat angles C4'-P-C4' energy: -54.290
flat angles P-C4'-P energy: -35.961
tors. eta vs tors. theta energy: -78.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -809.155106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.155106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.155106 (E_RNA)
where:
Base-Base interactions energy: -565.421
where: short stacking energy: -236.796
Base-Backbone interact. energy: -0.943
local terms energy: -242.790809
where:
bonds (distance) C4'-P energy: -48.727
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -51.936
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: -72.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -777.996846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.996846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.996846 (E_RNA)
where:
Base-Base interactions energy: -549.011
where: short stacking energy: -214.089
Base-Backbone interact. energy: -0.503
local terms energy: -228.483457
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -47.028
flat angles C4'-P-C4' energy: -50.326
flat angles P-C4'-P energy: -33.279
tors. eta vs tors. theta energy: -56.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -704.476636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.476636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.476636 (E_RNA)
where:
Base-Base interactions energy: -468.967
where: short stacking energy: -208.065
Base-Backbone interact. energy: -0.488
local terms energy: -235.021509
where:
bonds (distance) C4'-P energy: -40.131
bonds (distance) P-C4' energy: -44.147
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -37.087
tors. eta vs tors. theta energy: -65.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -610.143865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.143865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.143865 (E_RNA)
where:
Base-Base interactions energy: -405.069
where: short stacking energy: -173.068
Base-Backbone interact. energy: 0.612
local terms energy: -205.686607
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -41.841
flat angles C4'-P-C4' energy: -50.489
flat angles P-C4'-P energy: -33.471
tors. eta vs tors. theta energy: -39.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -502.672898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.672898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.672898 (E_RNA)
where:
Base-Base interactions energy: -318.335
where: short stacking energy: -158.987
Base-Backbone interact. energy: -0.281
local terms energy: -184.056648
where:
bonds (distance) C4'-P energy: -36.875
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -37.165
flat angles P-C4'-P energy: -24.282
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: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -453.252557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.252557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.252557 (E_RNA)
where:
Base-Base interactions energy: -275.070
where: short stacking energy: -138.027
Base-Backbone interact. energy: -0.160
local terms energy: -178.023171
where:
bonds (distance) C4'-P energy: -36.877
bonds (distance) P-C4' energy: -45.415
flat angles C4'-P-C4' energy: -44.305
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -24.957
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: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -394.822442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.822442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.822442 (E_RNA)
where:
Base-Base interactions energy: -234.588
where: short stacking energy: -123.070
Base-Backbone interact. energy: -0.067
local terms energy: -160.167437
where:
bonds (distance) C4'-P energy: -35.128
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -228.574279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.574279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.574279 (E_RNA)
where:
Base-Base interactions energy: -84.609
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.006
local terms energy: -143.958889
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -12.632
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: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -187.170289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.170289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.170289 (E_RNA)
where:
Base-Base interactions energy: -71.469
where: short stacking energy: -63.811
Base-Backbone interact. energy: 1.891
local terms energy: -117.591747
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -44.258
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: 1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -879.567532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.567532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.567532 (E_RNA)
where:
Base-Base interactions energy: -627.888
where: short stacking energy: -255.117
Base-Backbone interact. energy: -1.493
local terms energy: -250.186268
where:
bonds (distance) C4'-P energy: -42.994
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -51.979
flat angles P-C4'-P energy: -32.020
tors. eta vs tors. theta energy: -77.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -806.533837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.533837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.533837 (E_RNA)
where:
Base-Base interactions energy: -557.348
where: short stacking energy: -234.541
Base-Backbone interact. energy: -1.543
local terms energy: -247.643147
where:
bonds (distance) C4'-P energy: -46.163
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -46.388
flat angles P-C4'-P energy: -34.855
tors. eta vs tors. theta energy: -69.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -777.577302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.577302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.577302 (E_RNA)
where:
Base-Base interactions energy: -554.107
where: short stacking energy: -229.371
Base-Backbone interact. energy: -0.724
local terms energy: -222.746297
where:
bonds (distance) C4'-P energy: -39.740
bonds (distance) P-C4' energy: -40.678
flat angles C4'-P-C4' energy: -51.243
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -54.618
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: 119
Temperature: 1.050000
Total energy: -714.465743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.465743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.465743 (E_RNA)
where:
Base-Base interactions energy: -492.097
where: short stacking energy: -194.689
Base-Backbone interact. energy: -1.528
local terms energy: -220.840167
where:
bonds (distance) C4'-P energy: -43.315
bonds (distance) P-C4' energy: -44.431
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -58.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -611.117912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.117912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.117912 (E_RNA)
where:
Base-Base interactions energy: -421.456
where: short stacking energy: -185.121
Base-Backbone interact. energy: -0.510
local terms energy: -189.152462
where:
bonds (distance) C4'-P energy: -38.286
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -39.518
flat angles P-C4'-P energy: -30.346
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -519.962127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.962127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.962127 (E_RNA)
where:
Base-Base interactions energy: -334.852
where: short stacking energy: -151.130
Base-Backbone interact. energy: -1.568
local terms energy: -183.542278
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -38.268
flat angles C4'-P-C4' energy: -45.251
flat angles P-C4'-P energy: -32.971
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: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -455.307398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.307398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.307398 (E_RNA)
where:
Base-Base interactions energy: -264.229
where: short stacking energy: -148.301
Base-Backbone interact. energy: 1.557
local terms energy: -192.635758
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -45.059
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -33.514
tors. eta vs tors. theta energy: -31.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -404.470578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.470578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.470578 (E_RNA)
where:
Base-Base interactions energy: -220.079
where: short stacking energy: -114.028
Base-Backbone interact. energy: 0.774
local terms energy: -185.165846
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -45.562
flat angles C4'-P-C4' energy: -41.617
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -27.019
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: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -223.067907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.067907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067907 (E_RNA)
where:
Base-Base interactions energy: -79.973
where: short stacking energy: -76.813
Base-Backbone interact. energy: -2.490
local terms energy: -140.604415
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -40.098
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -5.465
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: 119
Temperature: 1.350000
Total energy: -202.299056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.299056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.299056 (E_RNA)
where:
Base-Base interactions energy: -73.900
where: short stacking energy: -56.331
Base-Backbone interact. energy: -1.377
local terms energy: -127.021822
where:
bonds (distance) C4'-P energy: -41.888
bonds (distance) P-C4' energy: -44.626
flat angles C4'-P-C4' energy: -38.391
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: 8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -869.739861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.739861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.739861 (E_RNA)
where:
Base-Base interactions energy: -606.025
where: short stacking energy: -259.007
Base-Backbone interact. energy: -0.311
local terms energy: -263.403421
where:
bonds (distance) C4'-P energy: -44.922
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -51.993
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -79.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -804.233704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.233704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.233704 (E_RNA)
where:
Base-Base interactions energy: -557.572
where: short stacking energy: -242.631
Base-Backbone interact. energy: -1.772
local terms energy: -244.889916
where:
bonds (distance) C4'-P energy: -41.872
bonds (distance) P-C4' energy: -48.411
flat angles C4'-P-C4' energy: -49.974
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -76.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -787.857900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.857900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.857900 (E_RNA)
where:
Base-Base interactions energy: -554.366
where: short stacking energy: -220.963
Base-Backbone interact. energy: 1.988
local terms energy: -235.479869
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -50.540
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -38.593
tors. eta vs tors. theta energy: -57.874
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: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -716.468199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.468199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.468199 (E_RNA)
where:
Base-Base interactions energy: -482.169
where: short stacking energy: -202.659
Base-Backbone interact. energy: 0.587
local terms energy: -234.886734
where:
bonds (distance) C4'-P energy: -45.676
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -49.976
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -54.911
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: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -605.443637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.443637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.443637 (E_RNA)
where:
Base-Base interactions energy: -409.222
where: short stacking energy: -168.800
Base-Backbone interact. energy: -1.023
local terms energy: -195.198325
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -40.767
flat angles C4'-P-C4' energy: -44.917
flat angles P-C4'-P energy: -27.746
tors. eta vs tors. theta energy: -40.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -483.232585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.232585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.232585 (E_RNA)
where:
Base-Base interactions energy: -291.831
where: short stacking energy: -139.865
Base-Backbone interact. energy: -0.658
local terms energy: -190.742772
where:
bonds (distance) C4'-P energy: -45.361
bonds (distance) P-C4' energy: -50.970
flat angles C4'-P-C4' energy: -38.456
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -34.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -480.267402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.267402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.267402 (E_RNA)
where:
Base-Base interactions energy: -294.508
where: short stacking energy: -131.190
Base-Backbone interact. energy: -1.766
local terms energy: -183.993852
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -40.395
flat angles C4'-P-C4' energy: -45.245
flat angles P-C4'-P energy: -27.795
tors. eta vs tors. theta energy: -28.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -422.830882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.830882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.830882 (E_RNA)
where:
Base-Base interactions energy: -252.901
where: short stacking energy: -131.023
Base-Backbone interact. energy: -0.289
local terms energy: -169.641232
where:
bonds (distance) C4'-P energy: -31.477
bonds (distance) P-C4' energy: -49.137
flat angles C4'-P-C4' energy: -35.977
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -27.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -225.970113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.970113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.970113 (E_RNA)
where:
Base-Base interactions energy: -82.669
where: short stacking energy: -75.050
Base-Backbone interact. energy: -1.576
local terms energy: -141.724940
where:
bonds (distance) C4'-P energy: -39.535
bonds (distance) P-C4' energy: -42.514
flat angles C4'-P-C4' energy: -38.298
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: 0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -212.464123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.464123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.464123 (E_RNA)
where:
Base-Base interactions energy: -72.765
where: short stacking energy: -72.472
Base-Backbone interact. energy: 1.593
local terms energy: -141.291792
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -47.886
flat angles C4'-P-C4' energy: -42.742
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: 4.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -866.829220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.829220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.829220 (E_RNA)
where:
Base-Base interactions energy: -602.634
where: short stacking energy: -253.312
Base-Backbone interact. energy: -0.194
local terms energy: -264.000546
where:
bonds (distance) C4'-P energy: -43.454
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -54.032
flat angles P-C4'-P energy: -45.971
tors. eta vs tors. theta energy: -78.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -801.106053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.106053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.106053 (E_RNA)
where:
Base-Base interactions energy: -558.904
where: short stacking energy: -248.139
Base-Backbone interact. energy: 0.220
local terms energy: -242.422013
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -54.618
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -74.840
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: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -790.809129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.809129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.809129 (E_RNA)
where:
Base-Base interactions energy: -558.814
where: short stacking energy: -225.508
Base-Backbone interact. energy: -0.222
local terms energy: -231.773351
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -47.282
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -59.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -721.436527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.436527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.436527 (E_RNA)
where:
Base-Base interactions energy: -506.494
where: short stacking energy: -219.012
Base-Backbone interact. energy: 0.863
local terms energy: -215.806264
where:
bonds (distance) C4'-P energy: -36.466
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -33.651
tors. eta vs tors. theta energy: -55.728
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: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -615.785657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.785657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.785657 (E_RNA)
where:
Base-Base interactions energy: -405.804
where: short stacking energy: -184.271
Base-Backbone interact. energy: -1.980
local terms energy: -208.002350
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -25.742
tors. eta vs tors. theta energy: -43.695
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: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -468.833935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.833935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.833935 (E_RNA)
where:
Base-Base interactions energy: -276.665
where: short stacking energy: -137.541
Base-Backbone interact. energy: -0.589
local terms energy: -191.579651
where:
bonds (distance) C4'-P energy: -44.295
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -42.725
flat angles P-C4'-P energy: -30.576
tors. eta vs tors. theta energy: -28.466
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: 121
Temperature: 1.200000
Total energy: -470.673463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.673463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.673463 (E_RNA)
where:
Base-Base interactions energy: -310.630
where: short stacking energy: -146.357
Base-Backbone interact. energy: -0.376
local terms energy: -159.667559
where:
bonds (distance) C4'-P energy: -37.311
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -41.247
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -24.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -409.512975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.512975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.512975 (E_RNA)
where:
Base-Base interactions energy: -241.898
where: short stacking energy: -111.404
Base-Backbone interact. energy: -1.773
local terms energy: -165.842298
where:
bonds (distance) C4'-P energy: -30.953
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -48.912
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -261.211025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.211025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.211025 (E_RNA)
where:
Base-Base interactions energy: -119.809
where: short stacking energy: -78.155
Base-Backbone interact. energy: 1.840
local terms energy: -143.241577
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -39.488
flat angles C4'-P-C4' energy: -32.946
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -207.083052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.083052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.083052 (E_RNA)
where:
Base-Base interactions energy: -65.368
where: short stacking energy: -64.276
Base-Backbone interact. energy: -0.822
local terms energy: -140.893113
where:
bonds (distance) C4'-P energy: -42.853
bonds (distance) P-C4' energy: -41.884
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -25.228
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -876.075647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.075647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.075647 (E_RNA)
where:
Base-Base interactions energy: -596.088
where: short stacking energy: -263.271
Base-Backbone interact. energy: -0.748
local terms energy: -279.239333
where:
bonds (distance) C4'-P energy: -55.412
bonds (distance) P-C4' energy: -49.463
flat angles C4'-P-C4' energy: -54.695
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -77.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -796.435606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.435606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.435606 (E_RNA)
where:
Base-Base interactions energy: -564.047
where: short stacking energy: -237.716
Base-Backbone interact. energy: -1.116
local terms energy: -231.272917
where:
bonds (distance) C4'-P energy: -36.909
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -29.967
tors. eta vs tors. theta energy: -73.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -777.353655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.353655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.353655 (E_RNA)
where:
Base-Base interactions energy: -548.017
where: short stacking energy: -225.370
Base-Backbone interact. energy: -0.688
local terms energy: -228.648508
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -46.150
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -33.549
tors. eta vs tors. theta energy: -55.000
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: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -717.189569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.189569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.189569 (E_RNA)
where:
Base-Base interactions energy: -494.704
where: short stacking energy: -210.991
Base-Backbone interact. energy: -0.604
local terms energy: -221.880892
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -44.954
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -49.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -628.371986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.371986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.371986 (E_RNA)
where:
Base-Base interactions energy: -415.229
where: short stacking energy: -190.820
Base-Backbone interact. energy: -2.225
local terms energy: -210.917776
where:
bonds (distance) C4'-P energy: -42.151
bonds (distance) P-C4' energy: -42.874
flat angles C4'-P-C4' energy: -45.961
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -49.903
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: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -512.843517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.843517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.843517 (E_RNA)
where:
Base-Base interactions energy: -328.206
where: short stacking energy: -164.948
Base-Backbone interact. energy: -0.991
local terms energy: -183.646458
where:
bonds (distance) C4'-P energy: -40.449
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -41.251
flat angles P-C4'-P energy: -25.319
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: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -470.344028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.344028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.344028 (E_RNA)
where:
Base-Base interactions energy: -273.268
where: short stacking energy: -153.837
Base-Backbone interact. energy: -0.839
local terms energy: -196.237795
where:
bonds (distance) C4'-P energy: -45.532
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -43.547
flat angles P-C4'-P energy: -28.389
tors. eta vs tors. theta energy: -31.764
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: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -454.358039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.358039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.358039 (E_RNA)
where:
Base-Base interactions energy: -283.624
where: short stacking energy: -124.995
Base-Backbone interact. energy: 2.118
local terms energy: -172.851943
where:
bonds (distance) C4'-P energy: -38.820
bonds (distance) P-C4' energy: -38.869
flat angles C4'-P-C4' energy: -44.007
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -21.595
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: 122
Temperature: 1.300000
Total energy: -274.193012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.193012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.193012 (E_RNA)
where:
Base-Base interactions energy: -137.950
where: short stacking energy: -99.606
Base-Backbone interact. energy: -1.147
local terms energy: -135.095897
where:
bonds (distance) C4'-P energy: -40.435
bonds (distance) P-C4' energy: -30.296
flat angles C4'-P-C4' energy: -41.808
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -9.462
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: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -194.834474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.834474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.834474 (E_RNA)
where:
Base-Base interactions energy: -61.893
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.958
local terms energy: -131.983590
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -37.482
flat angles C4'-P-C4' energy: -36.995
flat angles P-C4'-P energy: -18.144
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -870.505210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.505210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.505210 (E_RNA)
where:
Base-Base interactions energy: -609.764
where: short stacking energy: -252.774
Base-Backbone interact. energy: -0.108
local terms energy: -260.633216
where:
bonds (distance) C4'-P energy: -41.334
bonds (distance) P-C4' energy: -47.071
flat angles C4'-P-C4' energy: -58.241
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -79.456
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: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -794.565284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.565284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.565284 (E_RNA)
where:
Base-Base interactions energy: -556.436
where: short stacking energy: -229.633
Base-Backbone interact. energy: -0.804
local terms energy: -237.326030
where:
bonds (distance) C4'-P energy: -41.018
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -51.923
flat angles P-C4'-P energy: -35.312
tors. eta vs tors. theta energy: -58.408
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: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -793.587664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.587664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.587664 (E_RNA)
where:
Base-Base interactions energy: -551.892
where: short stacking energy: -237.537
Base-Backbone interact. energy: -1.944
local terms energy: -239.751849
where:
bonds (distance) C4'-P energy: -42.264
bonds (distance) P-C4' energy: -45.625
flat angles C4'-P-C4' energy: -51.497
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -67.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -716.413826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.413826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.413826 (E_RNA)
where:
Base-Base interactions energy: -489.169
where: short stacking energy: -212.010
Base-Backbone interact. energy: -0.283
local terms energy: -226.962219
where:
bonds (distance) C4'-P energy: -45.245
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -44.650
flat angles P-C4'-P energy: -31.103
tors. eta vs tors. theta energy: -58.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -604.021172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.021172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.021172 (E_RNA)
where:
Base-Base interactions energy: -410.306
where: short stacking energy: -176.238
Base-Backbone interact. energy: -0.992
local terms energy: -192.723153
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -47.628
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -46.739
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: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -531.513276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.513276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.513276 (E_RNA)
where:
Base-Base interactions energy: -326.253
where: short stacking energy: -154.985
Base-Backbone interact. energy: -1.107
local terms energy: -204.153497
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -45.225
flat angles C4'-P-C4' energy: -46.409
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -43.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -474.410868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.410868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.410868 (E_RNA)
where:
Base-Base interactions energy: -287.589
where: short stacking energy: -141.646
Base-Backbone interact. energy: -0.944
local terms energy: -185.877538
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -42.188
flat angles C4'-P-C4' energy: -42.557
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -28.193
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: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -407.025972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.025972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.025972 (E_RNA)
where:
Base-Base interactions energy: -253.326
where: short stacking energy: -116.107
Base-Backbone interact. energy: 4.477
local terms energy: -158.176810
where:
bonds (distance) C4'-P energy: -43.339
bonds (distance) P-C4' energy: -39.414
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -268.974304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.974304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.974304 (E_RNA)
where:
Base-Base interactions energy: -130.141
where: short stacking energy: -57.685
Base-Backbone interact. energy: 0.040
local terms energy: -138.873264
where:
bonds (distance) C4'-P energy: -40.067
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -46.743
flat angles P-C4'-P energy: -23.532
tors. eta vs tors. theta energy: 6.954
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: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -185.086328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.086328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.086328 (E_RNA)
where:
Base-Base interactions energy: -68.362
where: short stacking energy: -42.617
Base-Backbone interact. energy: -0.697
local terms energy: -116.027750
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: 16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -870.943472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.943472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.943472 (E_RNA)
where:
Base-Base interactions energy: -603.215
where: short stacking energy: -266.078
Base-Backbone interact. energy: -0.310
local terms energy: -267.419129
where:
bonds (distance) C4'-P energy: -51.456
bonds (distance) P-C4' energy: -42.280
flat angles C4'-P-C4' energy: -53.347
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -81.810
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: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -784.131231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.131231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.131231 (E_RNA)
where:
Base-Base interactions energy: -549.021
where: short stacking energy: -221.386
Base-Backbone interact. energy: -0.690
local terms energy: -234.420180
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -52.727
flat angles C4'-P-C4' energy: -43.052
flat angles P-C4'-P energy: -37.642
tors. eta vs tors. theta energy: -58.585
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -788.241324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.241324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.241324 (E_RNA)
where:
Base-Base interactions energy: -545.052
where: short stacking energy: -234.105
Base-Backbone interact. energy: -1.970
local terms energy: -241.218624
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -51.638
flat angles C4'-P-C4' energy: -52.848
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -68.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -717.832483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.832483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.832483 (E_RNA)
where:
Base-Base interactions energy: -494.803
where: short stacking energy: -221.628
Base-Backbone interact. energy: -0.614
local terms energy: -222.416222
where:
bonds (distance) C4'-P energy: -37.075
bonds (distance) P-C4' energy: -50.719
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -32.274
tors. eta vs tors. theta energy: -54.573
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: 124
Temperature: 1.100000
Total energy: -618.055158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.055158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.055158 (E_RNA)
where:
Base-Base interactions energy: -412.202
where: short stacking energy: -174.008
Base-Backbone interact. energy: -1.372
local terms energy: -204.481059
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -39.763
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -34.095
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: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -535.679505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.679505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.679505 (E_RNA)
where:
Base-Base interactions energy: -333.817
where: short stacking energy: -145.148
Base-Backbone interact. energy: -0.423
local terms energy: -201.439895
where:
bonds (distance) C4'-P energy: -46.155
bonds (distance) P-C4' energy: -45.981
flat angles C4'-P-C4' energy: -47.629
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -37.695
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: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -444.503689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.503689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.503689 (E_RNA)
where:
Base-Base interactions energy: -271.887
where: short stacking energy: -125.185
Base-Backbone interact. energy: 0.153
local terms energy: -172.769502
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -42.281
flat angles P-C4'-P energy: -28.120
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -447.598986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.598986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.598986 (E_RNA)
where:
Base-Base interactions energy: -278.235
where: short stacking energy: -138.497
Base-Backbone interact. energy: -0.271
local terms energy: -169.092607
where:
bonds (distance) C4'-P energy: -34.346
bonds (distance) P-C4' energy: -39.677
flat angles C4'-P-C4' energy: -44.843
flat angles P-C4'-P energy: -21.223
tors. eta vs tors. theta energy: -29.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -324.637136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.637136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.637136 (E_RNA)
where:
Base-Base interactions energy: -189.201
where: short stacking energy: -102.192
Base-Backbone interact. energy: -0.384
local terms energy: -135.052065
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -38.675
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -211.890463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.890463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.890463 (E_RNA)
where:
Base-Base interactions energy: -77.945
where: short stacking energy: -75.675
Base-Backbone interact. energy: -0.482
local terms energy: -133.463160
where:
bonds (distance) C4'-P energy: -31.922
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -36.677
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -856.182582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.182582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.182582 (E_RNA)
where:
Base-Base interactions energy: -587.328
where: short stacking energy: -251.958
Base-Backbone interact. energy: -0.584
local terms energy: -268.269857
where:
bonds (distance) C4'-P energy: -43.432
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -38.824
tors. eta vs tors. theta energy: -77.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -776.276115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.276115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.276115 (E_RNA)
where:
Base-Base interactions energy: -542.962
where: short stacking energy: -224.732
Base-Backbone interact. energy: -1.081
local terms energy: -232.233176
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -43.776
flat angles C4'-P-C4' energy: -44.009
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: -62.051
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: 3
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -784.293758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.293758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.293758 (E_RNA)
where:
Base-Base interactions energy: -534.784
where: short stacking energy: -243.036
Base-Backbone interact. energy: 0.342
local terms energy: -249.852496
where:
bonds (distance) C4'-P energy: -46.751
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -51.891
flat angles P-C4'-P energy: -31.075
tors. eta vs tors. theta energy: -70.309
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: 125
Temperature: 1.050000
Total energy: -715.605480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.605480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.605480 (E_RNA)
where:
Base-Base interactions energy: -493.796
where: short stacking energy: -201.197
Base-Backbone interact. energy: -0.916
local terms energy: -220.893843
where:
bonds (distance) C4'-P energy: -41.768
bonds (distance) P-C4' energy: -43.633
flat angles C4'-P-C4' energy: -42.785
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -64.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -589.637173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.637173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.637173 (E_RNA)
where:
Base-Base interactions energy: -375.745
where: short stacking energy: -180.048
Base-Backbone interact. energy: -0.489
local terms energy: -213.403368
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -50.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -551.109371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.109371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.109371 (E_RNA)
where:
Base-Base interactions energy: -381.276
where: short stacking energy: -172.215
Base-Backbone interact. energy: 3.421
local terms energy: -173.254152
where:
bonds (distance) C4'-P energy: -23.978
bonds (distance) P-C4' energy: -36.670
flat angles C4'-P-C4' energy: -48.876
flat angles P-C4'-P energy: -30.470
tors. eta vs tors. theta energy: -33.260
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: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -440.985673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.985673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.985673 (E_RNA)
where:
Base-Base interactions energy: -269.128
where: short stacking energy: -133.013
Base-Backbone interact. energy: -1.315
local terms energy: -170.542731
where:
bonds (distance) C4'-P energy: -35.289
bonds (distance) P-C4' energy: -52.482
flat angles C4'-P-C4' energy: -33.513
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -26.761
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: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -451.165230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.165230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.165230 (E_RNA)
where:
Base-Base interactions energy: -279.020
where: short stacking energy: -135.155
Base-Backbone interact. energy: -0.159
local terms energy: -171.985812
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -37.966
flat angles C4'-P-C4' energy: -31.263
flat angles P-C4'-P energy: -25.710
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: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -342.260163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.260163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.260163 (E_RNA)
where:
Base-Base interactions energy: -180.082
where: short stacking energy: -107.912
Base-Backbone interact. energy: -1.014
local terms energy: -161.164447
where:
bonds (distance) C4'-P energy: -40.473
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -44.898
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -239.520597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.520597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.520597 (E_RNA)
where:
Base-Base interactions energy: -87.939
where: short stacking energy: -81.321
Base-Backbone interact. energy: -0.549
local terms energy: -151.032531
where:
bonds (distance) C4'-P energy: -37.133
bonds (distance) P-C4' energy: -50.422
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -22.437
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: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -873.961751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.961751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.961751 (E_RNA)
where:
Base-Base interactions energy: -604.219
where: short stacking energy: -255.979
Base-Backbone interact. energy: 0.132
local terms energy: -269.874233
where:
bonds (distance) C4'-P energy: -47.692
bonds (distance) P-C4' energy: -43.323
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -43.861
tors. eta vs tors. theta energy: -81.264
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -783.533489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.533489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.533489 (E_RNA)
where:
Base-Base interactions energy: -534.710
where: short stacking energy: -224.323
Base-Backbone interact. energy: 0.367
local terms energy: -249.191261
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -53.859
flat angles C4'-P-C4' energy: -51.192
flat angles P-C4'-P energy: -40.178
tors. eta vs tors. theta energy: -58.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -794.818349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.818349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.818349 (E_RNA)
where:
Base-Base interactions energy: -549.307
where: short stacking energy: -218.823
Base-Backbone interact. energy: -0.693
local terms energy: -244.817867
where:
bonds (distance) C4'-P energy: -45.138
bonds (distance) P-C4' energy: -40.585
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -32.602
tors. eta vs tors. theta energy: -77.304
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: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -690.574093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.574093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.574093 (E_RNA)
where:
Base-Base interactions energy: -486.209
where: short stacking energy: -197.336
Base-Backbone interact. energy: -0.663
local terms energy: -203.701772
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -37.539
flat angles C4'-P-C4' energy: -43.776
flat angles P-C4'-P energy: -32.767
tors. eta vs tors. theta energy: -56.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -615.053076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.053076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.053076 (E_RNA)
where:
Base-Base interactions energy: -397.251
where: short stacking energy: -182.693
Base-Backbone interact. energy: -1.425
local terms energy: -216.376598
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -50.172
flat angles C4'-P-C4' energy: -44.192
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -53.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -522.455798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.455798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.455798 (E_RNA)
where:
Base-Base interactions energy: -336.151
where: short stacking energy: -164.478
Base-Backbone interact. energy: -0.769
local terms energy: -185.536518
where:
bonds (distance) C4'-P energy: -34.659
bonds (distance) P-C4' energy: -46.750
flat angles C4'-P-C4' energy: -44.015
flat angles P-C4'-P energy: -23.354
tors. eta vs tors. theta energy: -36.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -433.824482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.824482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.824482 (E_RNA)
where:
Base-Base interactions energy: -260.073
where: short stacking energy: -121.345
Base-Backbone interact. energy: -0.593
local terms energy: -173.158138
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -44.166
flat angles P-C4'-P energy: -35.980
tors. eta vs tors. theta energy: -27.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -411.046634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.046634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.046634 (E_RNA)
where:
Base-Base interactions energy: -253.815
where: short stacking energy: -121.180
Base-Backbone interact. energy: -0.934
local terms energy: -156.297242
where:
bonds (distance) C4'-P energy: -31.873
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -32.139
flat angles P-C4'-P energy: -27.550
tors. eta vs tors. theta energy: -27.715
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: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -322.197721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.197721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.197721 (E_RNA)
where:
Base-Base interactions energy: -178.722
where: short stacking energy: -98.679
Base-Backbone interact. energy: -0.793
local terms energy: -142.682262
where:
bonds (distance) C4'-P energy: -37.444
bonds (distance) P-C4' energy: -40.685
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -186.361836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.361836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.361836 (E_RNA)
where:
Base-Base interactions energy: -63.606
where: short stacking energy: -39.798
Base-Backbone interact. energy: 1.801
local terms energy: -124.557111
where:
bonds (distance) C4'-P energy: -38.446
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -28.247
tors. eta vs tors. theta energy: 11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -846.568634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.568634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.568634 (E_RNA)
where:
Base-Base interactions energy: -592.578
where: short stacking energy: -252.749
Base-Backbone interact. energy: -0.206
local terms energy: -253.785168
where:
bonds (distance) C4'-P energy: -47.841
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -46.434
flat angles P-C4'-P energy: -37.817
tors. eta vs tors. theta energy: -78.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -804.137427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.137427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.137427 (E_RNA)
where:
Base-Base interactions energy: -560.197
where: short stacking energy: -246.232
Base-Backbone interact. energy: -1.457
local terms energy: -242.483643
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -45.111
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -71.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -781.480322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.480322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.480322 (E_RNA)
where:
Base-Base interactions energy: -548.256
where: short stacking energy: -224.117
Base-Backbone interact. energy: -0.142
local terms energy: -233.082210
where:
bonds (distance) C4'-P energy: -48.296
bonds (distance) P-C4' energy: -46.976
flat angles C4'-P-C4' energy: -45.362
flat angles P-C4'-P energy: -34.208
tors. eta vs tors. theta energy: -58.240
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: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -696.728711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.728711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.728711 (E_RNA)
where:
Base-Base interactions energy: -469.737
where: short stacking energy: -195.046
Base-Backbone interact. energy: -0.347
local terms energy: -226.644807
where:
bonds (distance) C4'-P energy: -41.873
bonds (distance) P-C4' energy: -45.221
flat angles C4'-P-C4' energy: -49.183
flat angles P-C4'-P energy: -31.882
tors. eta vs tors. theta energy: -58.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -570.460694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.460694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.460694 (E_RNA)
where:
Base-Base interactions energy: -356.123
where: short stacking energy: -157.726
Base-Backbone interact. energy: -0.289
local terms energy: -214.048141
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -48.996
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -36.535
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: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -496.501045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.501045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.501045 (E_RNA)
where:
Base-Base interactions energy: -316.382
where: short stacking energy: -151.541
Base-Backbone interact. energy: 1.170
local terms energy: -181.289161
where:
bonds (distance) C4'-P energy: -35.721
bonds (distance) P-C4' energy: -40.940
flat angles C4'-P-C4' energy: -42.532
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -38.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -414.058336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.058336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.058336 (E_RNA)
where:
Base-Base interactions energy: -251.128
where: short stacking energy: -105.219
Base-Backbone interact. energy: -0.510
local terms energy: -162.420059
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -40.712
flat angles C4'-P-C4' energy: -43.193
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -23.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -362.182756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.182756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.182756 (E_RNA)
where:
Base-Base interactions energy: -203.522
where: short stacking energy: -100.964
Base-Backbone interact. energy: 0.179
local terms energy: -158.839640
where:
bonds (distance) C4'-P energy: -42.557
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -43.766
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -333.499933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.499933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.499933 (E_RNA)
where:
Base-Base interactions energy: -191.900
where: short stacking energy: -99.424
Base-Backbone interact. energy: 0.582
local terms energy: -142.182359
where:
bonds (distance) C4'-P energy: -28.680
bonds (distance) P-C4' energy: -43.222
flat angles C4'-P-C4' energy: -44.689
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -241.588444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.588444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.588444 (E_RNA)
where:
Base-Base interactions energy: -104.986
where: short stacking energy: -75.894
Base-Backbone interact. energy: 0.030
local terms energy: -136.632580
where:
bonds (distance) C4'-P energy: -33.495
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -42.831
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -854.126970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.126970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.126970 (E_RNA)
where:
Base-Base interactions energy: -603.310
where: short stacking energy: -254.794
Base-Backbone interact. energy: 0.708
local terms energy: -251.524357
where:
bonds (distance) C4'-P energy: -40.726
bonds (distance) P-C4' energy: -43.009
flat angles C4'-P-C4' energy: -51.299
flat angles P-C4'-P energy: -41.513
tors. eta vs tors. theta energy: -74.977
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: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -791.264376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.264376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.264376 (E_RNA)
where:
Base-Base interactions energy: -534.312
where: short stacking energy: -216.762
Base-Backbone interact. energy: -0.461
local terms energy: -256.491679
where:
bonds (distance) C4'-P energy: -47.178
bonds (distance) P-C4' energy: -48.704
flat angles C4'-P-C4' energy: -44.242
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -75.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -744.690325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.690325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.690325 (E_RNA)
where:
Base-Base interactions energy: -519.935
where: short stacking energy: -226.786
Base-Backbone interact. energy: -0.446
local terms energy: -224.310113
where:
bonds (distance) C4'-P energy: -43.969
bonds (distance) P-C4' energy: -47.402
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -701.904398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.904398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.904398 (E_RNA)
where:
Base-Base interactions energy: -474.674
where: short stacking energy: -202.416
Base-Backbone interact. energy: -0.694
local terms energy: -226.536403
where:
bonds (distance) C4'-P energy: -40.708
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -27.041
tors. eta vs tors. theta energy: -57.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -615.200452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.200452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.200452 (E_RNA)
where:
Base-Base interactions energy: -398.580
where: short stacking energy: -178.810
Base-Backbone interact. energy: -1.304
local terms energy: -215.316788
where:
bonds (distance) C4'-P energy: -41.198
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -55.534
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -51.859
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: 6, replica: 4
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -521.608723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.608723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.608723 (E_RNA)
where:
Base-Base interactions energy: -329.271
where: short stacking energy: -153.643
Base-Backbone interact. energy: -2.091
local terms energy: -190.247084
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -43.349
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -31.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -390.125887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.125887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.125887 (E_RNA)
where:
Base-Base interactions energy: -230.310
where: short stacking energy: -108.412
Base-Backbone interact. energy: -0.751
local terms energy: -159.064634
where:
bonds (distance) C4'-P energy: -39.059
bonds (distance) P-C4' energy: -46.980
flat angles C4'-P-C4' energy: -34.410
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -333.115351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.115351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.115351 (E_RNA)
where:
Base-Base interactions energy: -160.952
where: short stacking energy: -94.481
Base-Backbone interact. energy: -0.996
local terms energy: -171.167411
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -47.412
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -347.094084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.094084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.094084 (E_RNA)
where:
Base-Base interactions energy: -180.145
where: short stacking energy: -107.958
Base-Backbone interact. energy: 0.506
local terms energy: -167.455600
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -44.252
flat angles C4'-P-C4' energy: -44.149
flat angles P-C4'-P energy: -25.949
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -211.710487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.710487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.710487 (E_RNA)
where:
Base-Base interactions energy: -87.521
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.911
local terms energy: -123.277916
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -41.758
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -869.585802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.585802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.585802 (E_RNA)
where:
Base-Base interactions energy: -614.474
where: short stacking energy: -245.536
Base-Backbone interact. energy: 0.103
local terms energy: -255.215357
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -40.647
flat angles C4'-P-C4' energy: -53.980
flat angles P-C4'-P energy: -38.188
tors. eta vs tors. theta energy: -74.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -792.992155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.992155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.992155 (E_RNA)
where:
Base-Base interactions energy: -550.331
where: short stacking energy: -244.768
Base-Backbone interact. energy: -0.773
local terms energy: -241.888548
where:
bonds (distance) C4'-P energy: -45.869
bonds (distance) P-C4' energy: -44.305
flat angles C4'-P-C4' energy: -44.057
flat angles P-C4'-P energy: -33.218
tors. eta vs tors. theta energy: -74.440
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: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -738.217061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.217061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.217061 (E_RNA)
where:
Base-Base interactions energy: -531.966
where: short stacking energy: -212.436
Base-Backbone interact. energy: -0.882
local terms energy: -205.368703
where:
bonds (distance) C4'-P energy: -38.328
bonds (distance) P-C4' energy: -32.664
flat angles C4'-P-C4' energy: -50.711
flat angles P-C4'-P energy: -31.512
tors. eta vs tors. theta energy: -52.153
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: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -695.714467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.714467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.714467 (E_RNA)
where:
Base-Base interactions energy: -477.505
where: short stacking energy: -198.859
Base-Backbone interact. energy: 0.512
local terms energy: -218.721529
where:
bonds (distance) C4'-P energy: -42.715
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -45.770
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -52.197
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: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -604.881190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.881190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.881190 (E_RNA)
where:
Base-Base interactions energy: -393.622
where: short stacking energy: -168.575
Base-Backbone interact. energy: -2.037
local terms energy: -209.222938
where:
bonds (distance) C4'-P energy: -37.596
bonds (distance) P-C4' energy: -41.911
flat angles C4'-P-C4' energy: -49.461
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -48.223
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: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -517.442882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.442882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.442882 (E_RNA)
where:
Base-Base interactions energy: -331.500
where: short stacking energy: -160.831
Base-Backbone interact. energy: -0.347
local terms energy: -185.596305
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -43.526
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -33.904
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -433.858018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.858018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.858018 (E_RNA)
where:
Base-Base interactions energy: -253.891
where: short stacking energy: -118.022
Base-Backbone interact. energy: -0.332
local terms energy: -179.635062
where:
bonds (distance) C4'-P energy: -40.748
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -43.823
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -23.187
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: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -343.186470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.186470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.186470 (E_RNA)
where:
Base-Base interactions energy: -195.133
where: short stacking energy: -111.126
Base-Backbone interact. energy: -1.776
local terms energy: -146.277975
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -23.756
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: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -300.435064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.435064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.435064 (E_RNA)
where:
Base-Base interactions energy: -143.013
where: short stacking energy: -89.603
Base-Backbone interact. energy: -0.584
local terms energy: -156.837516
where:
bonds (distance) C4'-P energy: -36.362
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -196.950174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.950174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.950174 (E_RNA)
where:
Base-Base interactions energy: -53.267
where: short stacking energy: -51.316
Base-Backbone interact. energy: -0.491
local terms energy: -143.192133
where:
bonds (distance) C4'-P energy: -45.223
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -34.117
flat angles P-C4'-P energy: -26.861
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -866.330513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.330513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.330513 (E_RNA)
where:
Base-Base interactions energy: -609.735
where: short stacking energy: -242.514
Base-Backbone interact. energy: -0.388
local terms energy: -256.207489
where:
bonds (distance) C4'-P energy: -46.230
bonds (distance) P-C4' energy: -48.206
flat angles C4'-P-C4' energy: -50.393
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -71.534
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: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -789.030881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.030881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.030881 (E_RNA)
where:
Base-Base interactions energy: -552.998
where: short stacking energy: -221.224
Base-Backbone interact. energy: -1.362
local terms energy: -234.671152
where:
bonds (distance) C4'-P energy: -43.148
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -32.109
tors. eta vs tors. theta energy: -70.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -760.996021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.996021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.996021 (E_RNA)
where:
Base-Base interactions energy: -533.237
where: short stacking energy: -214.461
Base-Backbone interact. energy: -1.179
local terms energy: -226.580118
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -42.276
flat angles C4'-P-C4' energy: -52.414
flat angles P-C4'-P energy: -29.259
tors. eta vs tors. theta energy: -56.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -700.554092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.554092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.554092 (E_RNA)
where:
Base-Base interactions energy: -483.716
where: short stacking energy: -214.734
Base-Backbone interact. energy: -0.373
local terms energy: -216.465216
where:
bonds (distance) C4'-P energy: -35.537
bonds (distance) P-C4' energy: -42.546
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -25.985
tors. eta vs tors. theta energy: -58.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -597.545701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.545701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.545701 (E_RNA)
where:
Base-Base interactions energy: -389.476
where: short stacking energy: -180.163
Base-Backbone interact. energy: 0.901
local terms energy: -208.970859
where:
bonds (distance) C4'-P energy: -45.149
bonds (distance) P-C4' energy: -40.369
flat angles C4'-P-C4' energy: -50.440
flat angles P-C4'-P energy: -32.064
tors. eta vs tors. theta energy: -40.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -482.807506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.807506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.807506 (E_RNA)
where:
Base-Base interactions energy: -306.991
where: short stacking energy: -146.565
Base-Backbone interact. energy: -2.536
local terms energy: -173.280478
where:
bonds (distance) C4'-P energy: -30.089
bonds (distance) P-C4' energy: -40.906
flat angles C4'-P-C4' energy: -40.962
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -39.034
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: 130
Temperature: 1.200000
Total energy: -418.185552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.185552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.185552 (E_RNA)
where:
Base-Base interactions energy: -258.678
where: short stacking energy: -113.786
Base-Backbone interact. energy: -0.964
local terms energy: -158.543309
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -44.544
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -345.681516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.681516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.681516 (E_RNA)
where:
Base-Base interactions energy: -197.605
where: short stacking energy: -117.349
Base-Backbone interact. energy: -0.913
local terms energy: -147.163163
where:
bonds (distance) C4'-P energy: -39.764
bonds (distance) P-C4' energy: -41.394
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -306.465491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.465491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.465491 (E_RNA)
where:
Base-Base interactions energy: -165.928
where: short stacking energy: -82.368
Base-Backbone interact. energy: -2.082
local terms energy: -138.454932
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -38.963
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -248.684852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.684852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.684852 (E_RNA)
where:
Base-Base interactions energy: -125.519
where: short stacking energy: -62.755
Base-Backbone interact. energy: -1.625
local terms energy: -121.540662
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -877.433761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.433761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.433761 (E_RNA)
where:
Base-Base interactions energy: -616.675
where: short stacking energy: -253.795
Base-Backbone interact. energy: -0.707
local terms energy: -260.051943
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -43.448
flat angles C4'-P-C4' energy: -51.990
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: -76.955
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: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -812.684243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.684243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.684243 (E_RNA)
where:
Base-Base interactions energy: -560.129
where: short stacking energy: -234.900
Base-Backbone interact. energy: -0.868
local terms energy: -251.687049
where:
bonds (distance) C4'-P energy: -42.339
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -50.229
flat angles P-C4'-P energy: -36.431
tors. eta vs tors. theta energy: -73.336
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: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -779.803595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.803595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.803595 (E_RNA)
where:
Base-Base interactions energy: -538.507
where: short stacking energy: -205.842
Base-Backbone interact. energy: 0.229
local terms energy: -241.525576
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -43.373
flat angles C4'-P-C4' energy: -52.850
flat angles P-C4'-P energy: -39.435
tors. eta vs tors. theta energy: -59.414
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: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -686.839463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.839463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.839463 (E_RNA)
where:
Base-Base interactions energy: -477.165
where: short stacking energy: -194.725
Base-Backbone interact. energy: -0.253
local terms energy: -209.421517
where:
bonds (distance) C4'-P energy: -40.176
bonds (distance) P-C4' energy: -41.657
flat angles C4'-P-C4' energy: -51.106
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -50.255
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: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -609.553846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.553846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.553846 (E_RNA)
where:
Base-Base interactions energy: -387.806
where: short stacking energy: -175.449
Base-Backbone interact. energy: -1.075
local terms energy: -220.672743
where:
bonds (distance) C4'-P energy: -39.105
bonds (distance) P-C4' energy: -45.603
flat angles C4'-P-C4' energy: -53.173
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -45.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -483.832479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.832479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.832479 (E_RNA)
where:
Base-Base interactions energy: -307.689
where: short stacking energy: -140.440
Base-Backbone interact. energy: -1.215
local terms energy: -174.928737
where:
bonds (distance) C4'-P energy: -38.451
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -46.147
flat angles P-C4'-P energy: -26.067
tors. eta vs tors. theta energy: -28.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -389.780032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.780032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.780032 (E_RNA)
where:
Base-Base interactions energy: -221.789
where: short stacking energy: -111.271
Base-Backbone interact. energy: -0.702
local terms energy: -167.289392
where:
bonds (distance) C4'-P energy: -33.373
bonds (distance) P-C4' energy: -44.193
flat angles C4'-P-C4' energy: -42.125
flat angles P-C4'-P energy: -24.180
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: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -352.882290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.882290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.882290 (E_RNA)
where:
Base-Base interactions energy: -197.213
where: short stacking energy: -113.745
Base-Backbone interact. energy: -1.379
local terms energy: -154.290068
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -43.376
flat angles C4'-P-C4' energy: -42.798
flat angles P-C4'-P energy: -21.472
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -354.757083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.757083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.757083 (E_RNA)
where:
Base-Base interactions energy: -185.565
where: short stacking energy: -101.020
Base-Backbone interact. energy: 1.110
local terms energy: -170.302119
where:
bonds (distance) C4'-P energy: -45.177
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -36.560
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -19.797
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: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -313.048484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.048484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.048484 (E_RNA)
where:
Base-Base interactions energy: -171.264
where: short stacking energy: -92.926
Base-Backbone interact. energy: 1.488
local terms energy: -143.271701
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -46.844
flat angles C4'-P-C4' energy: -24.631
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -874.060621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.060621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.060621 (E_RNA)
where:
Base-Base interactions energy: -609.813
where: short stacking energy: -251.912
Base-Backbone interact. energy: -0.963
local terms energy: -263.284798
where:
bonds (distance) C4'-P energy: -50.223
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -50.434
flat angles P-C4'-P energy: -40.293
tors. eta vs tors. theta energy: -73.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -801.176642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.176642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.176642 (E_RNA)
where:
Base-Base interactions energy: -545.208
where: short stacking energy: -237.691
Base-Backbone interact. energy: -2.172
local terms energy: -253.796489
where:
bonds (distance) C4'-P energy: -39.762
bonds (distance) P-C4' energy: -45.259
flat angles C4'-P-C4' energy: -56.205
flat angles P-C4'-P energy: -35.683
tors. eta vs tors. theta energy: -76.887
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -765.051167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.051167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.051167 (E_RNA)
where:
Base-Base interactions energy: -527.330
where: short stacking energy: -210.903
Base-Backbone interact. energy: -1.122
local terms energy: -236.599598
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -63.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -701.540418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.540418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.540418 (E_RNA)
where:
Base-Base interactions energy: -475.817
where: short stacking energy: -202.605
Base-Backbone interact. energy: -0.733
local terms energy: -224.989822
where:
bonds (distance) C4'-P energy: -40.094
bonds (distance) P-C4' energy: -47.007
flat angles C4'-P-C4' energy: -47.367
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -59.377
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: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -613.128560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.128560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.128560 (E_RNA)
where:
Base-Base interactions energy: -395.446
where: short stacking energy: -185.722
Base-Backbone interact. energy: -0.970
local terms energy: -216.712905
where:
bonds (distance) C4'-P energy: -40.698
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -51.123
flat angles P-C4'-P energy: -34.184
tors. eta vs tors. theta energy: -57.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -490.498819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.498819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.498819 (E_RNA)
where:
Base-Base interactions energy: -311.053
where: short stacking energy: -130.458
Base-Backbone interact. energy: -0.697
local terms energy: -178.748569
where:
bonds (distance) C4'-P energy: -36.678
bonds (distance) P-C4' energy: -37.096
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -29.376
tors. eta vs tors. theta energy: -30.509
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: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -426.756959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.756959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.756959 (E_RNA)
where:
Base-Base interactions energy: -276.867
where: short stacking energy: -130.838
Base-Backbone interact. energy: -1.021
local terms energy: -148.868689
where:
bonds (distance) C4'-P energy: -31.890
bonds (distance) P-C4' energy: -43.569
flat angles C4'-P-C4' energy: -33.503
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -326.414516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.414516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.414516 (E_RNA)
where:
Base-Base interactions energy: -196.268
where: short stacking energy: -89.603
Base-Backbone interact. energy: -0.960
local terms energy: -129.186800
where:
bonds (distance) C4'-P energy: -32.783
bonds (distance) P-C4' energy: -41.242
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -361.137379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.137379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.137379 (E_RNA)
where:
Base-Base interactions energy: -214.909
where: short stacking energy: -123.636
Base-Backbone interact. energy: 1.151
local terms energy: -147.379670
where:
bonds (distance) C4'-P energy: -28.271
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -37.737
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -310.596686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.596686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.596686 (E_RNA)
where:
Base-Base interactions energy: -164.365
where: short stacking energy: -98.963
Base-Backbone interact. energy: 0.744
local terms energy: -146.976073
where:
bonds (distance) C4'-P energy: -25.919
bonds (distance) P-C4' energy: -41.825
flat angles C4'-P-C4' energy: -45.780
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -882.505544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.505544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.505544 (E_RNA)
where:
Base-Base interactions energy: -623.229
where: short stacking energy: -247.327
Base-Backbone interact. energy: -0.515
local terms energy: -258.761301
where:
bonds (distance) C4'-P energy: -54.183
bonds (distance) P-C4' energy: -50.996
flat angles C4'-P-C4' energy: -50.687
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -71.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -791.795072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.795072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.795072 (E_RNA)
where:
Base-Base interactions energy: -551.215
where: short stacking energy: -229.457
Base-Backbone interact. energy: -1.400
local terms energy: -239.180470
where:
bonds (distance) C4'-P energy: -47.696
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -33.721
tors. eta vs tors. theta energy: -60.466
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: 3
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -789.405933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.405933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.405933 (E_RNA)
where:
Base-Base interactions energy: -528.620
where: short stacking energy: -225.659
Base-Backbone interact. energy: -1.606
local terms energy: -259.179774
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -54.724
flat angles C4'-P-C4' energy: -57.831
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -72.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -717.958805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.958805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.958805 (E_RNA)
where:
Base-Base interactions energy: -486.590
where: short stacking energy: -205.672
Base-Backbone interact. energy: 0.749
local terms energy: -232.117655
where:
bonds (distance) C4'-P energy: -40.086
bonds (distance) P-C4' energy: -53.982
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -60.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -592.289055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.289055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.289055 (E_RNA)
where:
Base-Base interactions energy: -381.199
where: short stacking energy: -172.948
Base-Backbone interact. energy: -0.841
local terms energy: -210.248233
where:
bonds (distance) C4'-P energy: -29.371
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -32.035
tors. eta vs tors. theta energy: -46.436
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: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -474.885074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.885074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.885074 (E_RNA)
where:
Base-Base interactions energy: -295.037
where: short stacking energy: -138.187
Base-Backbone interact. energy: -5.289
local terms energy: -174.559326
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -42.262
flat angles C4'-P-C4' energy: -44.411
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -37.583
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: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -379.766883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.766883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.766883 (E_RNA)
where:
Base-Base interactions energy: -220.622
where: short stacking energy: -90.080
Base-Backbone interact. energy: -2.057
local terms energy: -157.088343
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -37.370
flat angles P-C4'-P energy: -25.658
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -374.848313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.848313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.848313 (E_RNA)
where:
Base-Base interactions energy: -227.713
where: short stacking energy: -111.269
Base-Backbone interact. energy: 2.303
local terms energy: -149.438007
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -41.202
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -314.926702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.926702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.926702 (E_RNA)
where:
Base-Base interactions energy: -164.485
where: short stacking energy: -88.023
Base-Backbone interact. energy: -1.659
local terms energy: -148.782529
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -26.521
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -320.085889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.085889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.085889 (E_RNA)
where:
Base-Base interactions energy: -165.381
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.246
local terms energy: -154.458791
where:
bonds (distance) C4'-P energy: -39.211
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -41.351
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -863.334405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.334405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.334405 (E_RNA)
where:
Base-Base interactions energy: -599.539
where: short stacking energy: -249.281
Base-Backbone interact. energy: -0.748
local terms energy: -263.047251
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -45.097
flat angles C4'-P-C4' energy: -54.227
flat angles P-C4'-P energy: -35.830
tors. eta vs tors. theta energy: -79.169
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: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -756.187750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.187750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.187750 (E_RNA)
where:
Base-Base interactions energy: -525.284
where: short stacking energy: -213.014
Base-Backbone interact. energy: -0.704
local terms energy: -230.200131
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -49.828
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -784.401042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.401042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.401042 (E_RNA)
where:
Base-Base interactions energy: -536.424
where: short stacking energy: -245.410
Base-Backbone interact. energy: -2.294
local terms energy: -245.683134
where:
bonds (distance) C4'-P energy: -45.668
bonds (distance) P-C4' energy: -47.727
flat angles C4'-P-C4' energy: -46.682
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -74.730
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: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -725.285663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.285663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.285663 (E_RNA)
where:
Base-Base interactions energy: -514.153
where: short stacking energy: -222.782
Base-Backbone interact. energy: -1.095
local terms energy: -210.037372
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -44.625
flat angles C4'-P-C4' energy: -53.378
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -60.482
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: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -589.306352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.306352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.306352 (E_RNA)
where:
Base-Base interactions energy: -384.784
where: short stacking energy: -164.131
Base-Backbone interact. energy: -1.747
local terms energy: -202.775608
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -41.543
flat angles C4'-P-C4' energy: -43.155
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -45.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -447.040821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.040821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.040821 (E_RNA)
where:
Base-Base interactions energy: -248.923
where: short stacking energy: -127.906
Base-Backbone interact. energy: -2.344
local terms energy: -195.774620
where:
bonds (distance) C4'-P energy: -48.975
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -31.262
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: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -393.360827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.360827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.360827 (E_RNA)
where:
Base-Base interactions energy: -217.549
where: short stacking energy: -108.588
Base-Backbone interact. energy: -1.367
local terms energy: -174.444925
where:
bonds (distance) C4'-P energy: -46.059
bonds (distance) P-C4' energy: -47.712
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -409.206054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.206054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.206054 (E_RNA)
where:
Base-Base interactions energy: -262.227
where: short stacking energy: -124.847
Base-Backbone interact. energy: -0.431
local terms energy: -146.548701
where:
bonds (distance) C4'-P energy: -30.851
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -32.652
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -356.498034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.498034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.498034 (E_RNA)
where:
Base-Base interactions energy: -211.691
where: short stacking energy: -112.635
Base-Backbone interact. energy: -0.150
local terms energy: -144.657537
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -43.212
flat angles C4'-P-C4' energy: -39.839
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -235.876241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.876241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.876241 (E_RNA)
where:
Base-Base interactions energy: -105.612
where: short stacking energy: -67.589
Base-Backbone interact. energy: -2.613
local terms energy: -127.651620
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -43.331
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -866.685344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.685344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.685344 (E_RNA)
where:
Base-Base interactions energy: -611.342
where: short stacking energy: -242.888
Base-Backbone interact. energy: -0.889
local terms energy: -254.454782
where:
bonds (distance) C4'-P energy: -40.207
bonds (distance) P-C4' energy: -51.111
flat angles C4'-P-C4' energy: -52.317
flat angles P-C4'-P energy: -37.940
tors. eta vs tors. theta energy: -72.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -764.474642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.474642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.474642 (E_RNA)
where:
Base-Base interactions energy: -533.730
where: short stacking energy: -213.121
Base-Backbone interact. energy: -0.646
local terms energy: -230.099146
where:
bonds (distance) C4'-P energy: -41.998
bonds (distance) P-C4' energy: -51.807
flat angles C4'-P-C4' energy: -45.750
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -57.108
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: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -769.905077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.905077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.905077 (E_RNA)
where:
Base-Base interactions energy: -533.360
where: short stacking energy: -235.573
Base-Backbone interact. energy: -2.234
local terms energy: -234.311424
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -44.502
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -72.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -729.164744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.164744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.164744 (E_RNA)
where:
Base-Base interactions energy: -500.809
where: short stacking energy: -225.001
Base-Backbone interact. energy: -0.712
local terms energy: -227.643296
where:
bonds (distance) C4'-P energy: -50.354
bonds (distance) P-C4' energy: -34.202
flat angles C4'-P-C4' energy: -45.814
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -69.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -591.836934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.836934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.836934 (E_RNA)
where:
Base-Base interactions energy: -382.972
where: short stacking energy: -177.254
Base-Backbone interact. energy: 1.479
local terms energy: -210.344166
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -32.827
flat angles C4'-P-C4' energy: -47.803
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -55.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -475.632246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.632246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.632246 (E_RNA)
where:
Base-Base interactions energy: -307.142
where: short stacking energy: -147.139
Base-Backbone interact. energy: -1.798
local terms energy: -166.692233
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -31.585
flat angles C4'-P-C4' energy: -43.175
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -28.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -355.133861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.133861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.133861 (E_RNA)
where:
Base-Base interactions energy: -185.779
where: short stacking energy: -96.766
Base-Backbone interact. energy: -0.156
local terms energy: -169.198476
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -48.075
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -414.242139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.242139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.242139 (E_RNA)
where:
Base-Base interactions energy: -250.259
where: short stacking energy: -105.366
Base-Backbone interact. energy: 3.296
local terms energy: -167.279256
where:
bonds (distance) C4'-P energy: -39.968
bonds (distance) P-C4' energy: -47.509
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -22.224
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: 135
Temperature: 1.300000
Total energy: -334.499306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.499306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.499306 (E_RNA)
where:
Base-Base interactions energy: -183.293
where: short stacking energy: -109.415
Base-Backbone interact. energy: 0.345
local terms energy: -151.550714
where:
bonds (distance) C4'-P energy: -39.310
bonds (distance) P-C4' energy: -27.945
flat angles C4'-P-C4' energy: -34.827
flat angles P-C4'-P energy: -18.250
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: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -236.085451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.085451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.085451 (E_RNA)
where:
Base-Base interactions energy: -98.845
where: short stacking energy: -60.540
Base-Backbone interact. energy: 0.495
local terms energy: -137.735643
where:
bonds (distance) C4'-P energy: -42.784
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -26.732
tors. eta vs tors. theta energy: 3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -875.548124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.548124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.548124 (E_RNA)
where:
Base-Base interactions energy: -627.898
where: short stacking energy: -245.322
Base-Backbone interact. energy: -0.270
local terms energy: -247.379886
where:
bonds (distance) C4'-P energy: -42.170
bonds (distance) P-C4' energy: -49.869
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -71.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -779.641400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.641400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.641400 (E_RNA)
where:
Base-Base interactions energy: -552.425
where: short stacking energy: -221.482
Base-Backbone interact. energy: 0.022
local terms energy: -227.238234
where:
bonds (distance) C4'-P energy: -39.897
bonds (distance) P-C4' energy: -42.304
flat angles C4'-P-C4' energy: -53.410
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -57.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -782.805421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.805421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.805421 (E_RNA)
where:
Base-Base interactions energy: -550.394
where: short stacking energy: -221.767
Base-Backbone interact. energy: -1.241
local terms energy: -231.170701
where:
bonds (distance) C4'-P energy: -36.996
bonds (distance) P-C4' energy: -50.034
flat angles C4'-P-C4' energy: -47.543
flat angles P-C4'-P energy: -33.092
tors. eta vs tors. theta energy: -63.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -714.739083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.739083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.739083 (E_RNA)
where:
Base-Base interactions energy: -486.771
where: short stacking energy: -212.617
Base-Backbone interact. energy: -0.331
local terms energy: -227.636216
where:
bonds (distance) C4'-P energy: -36.556
bonds (distance) P-C4' energy: -44.378
flat angles C4'-P-C4' energy: -54.008
flat angles P-C4'-P energy: -35.308
tors. eta vs tors. theta energy: -57.387
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: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -581.661064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.661064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.661064 (E_RNA)
where:
Base-Base interactions energy: -371.896
where: short stacking energy: -190.067
Base-Backbone interact. energy: -1.607
local terms energy: -208.157352
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -51.053
flat angles C4'-P-C4' energy: -44.220
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -48.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -509.923164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.923164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.923164 (E_RNA)
where:
Base-Base interactions energy: -310.753
where: short stacking energy: -135.949
Base-Backbone interact. energy: 1.548
local terms energy: -200.717917
where:
bonds (distance) C4'-P energy: -43.804
bonds (distance) P-C4' energy: -47.030
flat angles C4'-P-C4' energy: -44.569
flat angles P-C4'-P energy: -27.653
tors. eta vs tors. theta energy: -37.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -416.398727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.398727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.398727 (E_RNA)
where:
Base-Base interactions energy: -246.288
where: short stacking energy: -133.925
Base-Backbone interact. energy: -0.390
local terms energy: -169.720500
where:
bonds (distance) C4'-P energy: -31.367
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -47.863
flat angles P-C4'-P energy: -24.806
tors. eta vs tors. theta energy: -27.310
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: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -332.382305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.382305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.382305 (E_RNA)
where:
Base-Base interactions energy: -185.676
where: short stacking energy: -93.797
Base-Backbone interact. energy: -1.193
local terms energy: -145.513901
where:
bonds (distance) C4'-P energy: -41.586
bonds (distance) P-C4' energy: -47.820
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -11.452
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: 136
Temperature: 1.300000
Total energy: -248.593690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.593690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.593690 (E_RNA)
where:
Base-Base interactions energy: -118.274
where: short stacking energy: -71.863
Base-Backbone interact. energy: -0.494
local terms energy: -129.825652
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -18.579
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: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -322.088200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.088200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.088200 (E_RNA)
where:
Base-Base interactions energy: -180.980
where: short stacking energy: -100.567
Base-Backbone interact. energy: -0.629
local terms energy: -140.479293
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -37.019
flat angles C4'-P-C4' energy: -37.036
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -878.383361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.383361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.383361 (E_RNA)
where:
Base-Base interactions energy: -618.383
where: short stacking energy: -247.801
Base-Backbone interact. energy: -1.247
local terms energy: -258.753544
where:
bonds (distance) C4'-P energy: -53.476
bonds (distance) P-C4' energy: -48.917
flat angles C4'-P-C4' energy: -45.539
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -77.311
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: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -776.827274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.827274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.827274 (E_RNA)
where:
Base-Base interactions energy: -544.929
where: short stacking energy: -220.146
Base-Backbone interact. energy: 0.835
local terms energy: -232.733440
where:
bonds (distance) C4'-P energy: -45.579
bonds (distance) P-C4' energy: -42.873
flat angles C4'-P-C4' energy: -47.685
flat angles P-C4'-P energy: -35.913
tors. eta vs tors. theta energy: -60.684
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: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -759.310702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.310702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.310702 (E_RNA)
where:
Base-Base interactions energy: -522.440
where: short stacking energy: -239.472
Base-Backbone interact. energy: -0.556
local terms energy: -236.314762
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -47.517
flat angles C4'-P-C4' energy: -50.764
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -74.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -715.507772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.507772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.507772 (E_RNA)
where:
Base-Base interactions energy: -500.476
where: short stacking energy: -206.204
Base-Backbone interact. energy: -0.082
local terms energy: -214.949486
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -39.129
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -59.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -605.218490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.218490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.218490 (E_RNA)
where:
Base-Base interactions energy: -386.362
where: short stacking energy: -176.385
Base-Backbone interact. energy: 0.134
local terms energy: -218.989834
where:
bonds (distance) C4'-P energy: -44.604
bonds (distance) P-C4' energy: -47.550
flat angles C4'-P-C4' energy: -47.424
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: -48.003
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: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -486.718448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.718448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.718448 (E_RNA)
where:
Base-Base interactions energy: -282.530
where: short stacking energy: -140.128
Base-Backbone interact. energy: -0.197
local terms energy: -203.991761
where:
bonds (distance) C4'-P energy: -40.147
bonds (distance) P-C4' energy: -50.044
flat angles C4'-P-C4' energy: -46.120
flat angles P-C4'-P energy: -31.949
tors. eta vs tors. theta energy: -35.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -420.496727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.496727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.496727 (E_RNA)
where:
Base-Base interactions energy: -250.862
where: short stacking energy: -121.424
Base-Backbone interact. energy: -1.275
local terms energy: -168.359699
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -41.008
flat angles C4'-P-C4' energy: -46.233
flat angles P-C4'-P energy: -13.392
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: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -236.728597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.728597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.728597 (E_RNA)
where:
Base-Base interactions energy: -104.659
where: short stacking energy: -95.653
Base-Backbone interact. energy: 2.223
local terms energy: -134.292995
where:
bonds (distance) C4'-P energy: -38.607
bonds (distance) P-C4' energy: -34.254
flat angles C4'-P-C4' energy: -37.583
flat angles P-C4'-P energy: -21.746
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: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -277.653759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.653759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.653759 (E_RNA)
where:
Base-Base interactions energy: -140.647
where: short stacking energy: -88.213
Base-Backbone interact. energy: -2.216
local terms energy: -134.791290
where:
bonds (distance) C4'-P energy: -36.303
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: 2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -288.689314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.689314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.689314 (E_RNA)
where:
Base-Base interactions energy: -131.847
where: short stacking energy: -79.848
Base-Backbone interact. energy: -0.331
local terms energy: -156.511838
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -41.438
flat angles C4'-P-C4' energy: -32.011
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -15.239
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: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -886.091499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.091499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.091499 (E_RNA)
where:
Base-Base interactions energy: -622.535
where: short stacking energy: -242.575
Base-Backbone interact. energy: -0.532
local terms energy: -263.024246
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -50.293
flat angles C4'-P-C4' energy: -53.600
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: -73.325
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: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -789.644668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.644668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.644668 (E_RNA)
where:
Base-Base interactions energy: -560.808
where: short stacking energy: -231.393
Base-Backbone interact. energy: -1.738
local terms energy: -227.098652
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -40.807
flat angles C4'-P-C4' energy: -50.542
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: -61.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -778.106768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.106768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.106768 (E_RNA)
where:
Base-Base interactions energy: -553.285
where: short stacking energy: -233.709
Base-Backbone interact. energy: -1.966
local terms energy: -222.855889
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -46.956
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -70.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -713.135908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.135908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.135908 (E_RNA)
where:
Base-Base interactions energy: -493.287
where: short stacking energy: -212.801
Base-Backbone interact. energy: -0.597
local terms energy: -219.251965
where:
bonds (distance) C4'-P energy: -42.799
bonds (distance) P-C4' energy: -38.077
flat angles C4'-P-C4' energy: -45.631
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -58.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -648.304589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.304589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.304589 (E_RNA)
where:
Base-Base interactions energy: -439.771
where: short stacking energy: -202.727
Base-Backbone interact. energy: -0.437
local terms energy: -208.097003
where:
bonds (distance) C4'-P energy: -47.457
bonds (distance) P-C4' energy: -38.608
flat angles C4'-P-C4' energy: -43.738
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -55.269
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: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -470.270965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.270965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.270965 (E_RNA)
where:
Base-Base interactions energy: -283.243
where: short stacking energy: -139.302
Base-Backbone interact. energy: -0.877
local terms energy: -186.150944
where:
bonds (distance) C4'-P energy: -43.679
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -47.181
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -419.199513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.199513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.199513 (E_RNA)
where:
Base-Base interactions energy: -257.648
where: short stacking energy: -127.505
Base-Backbone interact. energy: 0.655
local terms energy: -162.206829
where:
bonds (distance) C4'-P energy: -35.708
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -44.196
flat angles P-C4'-P energy: -22.793
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: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -240.162739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.162739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.162739 (E_RNA)
where:
Base-Base interactions energy: -99.308
where: short stacking energy: -67.176
Base-Backbone interact. energy: -0.139
local terms energy: -140.715787
where:
bonds (distance) C4'-P energy: -40.800
bonds (distance) P-C4' energy: -43.970
flat angles C4'-P-C4' energy: -35.985
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -292.715607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.715607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.715607 (E_RNA)
where:
Base-Base interactions energy: -127.173
where: short stacking energy: -74.211
Base-Backbone interact. energy: 1.447
local terms energy: -166.988817
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -43.335
flat angles P-C4'-P energy: -31.658
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: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -195.728184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.728184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.728184 (E_RNA)
where:
Base-Base interactions energy: -47.949
where: short stacking energy: -44.773
Base-Backbone interact. energy: -1.156
local terms energy: -146.623019
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -42.762
flat angles C4'-P-C4' energy: -34.667
flat angles P-C4'-P energy: -25.249
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -873.484850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.484850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.484850 (E_RNA)
where:
Base-Base interactions energy: -618.607
where: short stacking energy: -251.673
Base-Backbone interact. energy: 0.321
local terms energy: -255.199528
where:
bonds (distance) C4'-P energy: -44.040
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -49.487
flat angles P-C4'-P energy: -38.947
tors. eta vs tors. theta energy: -72.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -793.510122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.510122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.510122 (E_RNA)
where:
Base-Base interactions energy: -541.344
where: short stacking energy: -228.102
Base-Backbone interact. energy: -6.374
local terms energy: -245.792829
where:
bonds (distance) C4'-P energy: -46.231
bonds (distance) P-C4' energy: -41.051
flat angles C4'-P-C4' energy: -49.867
flat angles P-C4'-P energy: -35.311
tors. eta vs tors. theta energy: -73.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -762.447460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.447460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.447460 (E_RNA)
where:
Base-Base interactions energy: -544.561
where: short stacking energy: -225.298
Base-Backbone interact. energy: -1.400
local terms energy: -216.486036
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -40.526
flat angles C4'-P-C4' energy: -49.741
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -59.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -710.017965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.017965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.017965 (E_RNA)
where:
Base-Base interactions energy: -488.738
where: short stacking energy: -207.043
Base-Backbone interact. energy: -1.092
local terms energy: -220.188622
where:
bonds (distance) C4'-P energy: -42.609
bonds (distance) P-C4' energy: -43.874
flat angles C4'-P-C4' energy: -48.745
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -57.488
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: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -609.592902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.592902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.592902 (E_RNA)
where:
Base-Base interactions energy: -415.855
where: short stacking energy: -186.461
Base-Backbone interact. energy: -0.855
local terms energy: -192.883472
where:
bonds (distance) C4'-P energy: -42.153
bonds (distance) P-C4' energy: -39.057
flat angles C4'-P-C4' energy: -44.172
flat angles P-C4'-P energy: -24.817
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: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -483.747193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.747193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.747193 (E_RNA)
where:
Base-Base interactions energy: -284.149
where: short stacking energy: -159.804
Base-Backbone interact. energy: -1.082
local terms energy: -198.516726
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -44.420
flat angles C4'-P-C4' energy: -44.756
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -44.878
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: 139
Temperature: 1.200000
Total energy: -512.062702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.062702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.062702 (E_RNA)
where:
Base-Base interactions energy: -327.565
where: short stacking energy: -152.695
Base-Backbone interact. energy: 1.329
local terms energy: -185.826366
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -44.393
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -36.764
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: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -297.095855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.095855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.095855 (E_RNA)
where:
Base-Base interactions energy: -145.560
where: short stacking energy: -88.075
Base-Backbone interact. energy: -0.308
local terms energy: -151.228060
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -219.341557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341557 (E_RNA)
where:
Base-Base interactions energy: -93.318
where: short stacking energy: -85.897
Base-Backbone interact. energy: 2.698
local terms energy: -128.721761
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: 4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -185.295093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.295093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.295093 (E_RNA)
where:
Base-Base interactions energy: -63.844
where: short stacking energy: -49.748
Base-Backbone interact. energy: -1.661
local terms energy: -119.789832
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -30.886
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: 9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -882.605169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.605169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.605169 (E_RNA)
where:
Base-Base interactions energy: -618.426
where: short stacking energy: -246.488
Base-Backbone interact. energy: -1.056
local terms energy: -263.123316
where:
bonds (distance) C4'-P energy: -45.524
bonds (distance) P-C4' energy: -47.335
flat angles C4'-P-C4' energy: -52.942
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -73.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -784.156711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.156711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.156711 (E_RNA)
where:
Base-Base interactions energy: -550.036
where: short stacking energy: -235.249
Base-Backbone interact. energy: -1.142
local terms energy: -232.979082
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -40.091
flat angles P-C4'-P energy: -32.428
tors. eta vs tors. theta energy: -73.818
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: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -761.004990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.004990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.004990 (E_RNA)
where:
Base-Base interactions energy: -533.541
where: short stacking energy: -220.525
Base-Backbone interact. energy: -1.621
local terms energy: -225.843098
where:
bonds (distance) C4'-P energy: -38.362
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -57.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -720.729103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.729103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.729103 (E_RNA)
where:
Base-Base interactions energy: -491.824
where: short stacking energy: -196.969
Base-Backbone interact. energy: -0.717
local terms energy: -228.187577
where:
bonds (distance) C4'-P energy: -43.586
bonds (distance) P-C4' energy: -44.189
flat angles C4'-P-C4' energy: -50.507
flat angles P-C4'-P energy: -27.397
tors. eta vs tors. theta energy: -62.509
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: 140
Temperature: 1.100000
Total energy: -611.664605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.664605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.664605 (E_RNA)
where:
Base-Base interactions energy: -399.366
where: short stacking energy: -192.228
Base-Backbone interact. energy: -0.440
local terms energy: -211.858911
where:
bonds (distance) C4'-P energy: -50.015
bonds (distance) P-C4' energy: -37.043
flat angles C4'-P-C4' energy: -47.012
flat angles P-C4'-P energy: -24.647
tors. eta vs tors. theta energy: -53.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -491.339950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.339950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.339950 (E_RNA)
where:
Base-Base interactions energy: -299.467
where: short stacking energy: -168.324
Base-Backbone interact. energy: -0.573
local terms energy: -191.299926
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -35.144
flat angles C4'-P-C4' energy: -46.880
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -46.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -477.412465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.412465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.412465 (E_RNA)
where:
Base-Base interactions energy: -311.651
where: short stacking energy: -138.990
Base-Backbone interact. energy: -0.530
local terms energy: -165.231130
where:
bonds (distance) C4'-P energy: -42.245
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -21.050
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: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -302.076209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.076209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.076209 (E_RNA)
where:
Base-Base interactions energy: -151.111
where: short stacking energy: -107.291
Base-Backbone interact. energy: -0.281
local terms energy: -150.684484
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -28.952
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -249.945608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.945608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.945608 (E_RNA)
where:
Base-Base interactions energy: -118.577
where: short stacking energy: -76.100
Base-Backbone interact. energy: 1.707
local terms energy: -133.075725
where:
bonds (distance) C4'-P energy: -38.989
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -36.783
flat angles P-C4'-P energy: -22.004
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -225.447388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.447388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.447388 (E_RNA)
where:
Base-Base interactions energy: -92.817
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.555
local terms energy: -132.075102
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -37.030
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -889.402609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.402609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.402609 (E_RNA)
where:
Base-Base interactions energy: -620.027
where: short stacking energy: -248.497
Base-Backbone interact. energy: -0.803
local terms energy: -268.572169
where:
bonds (distance) C4'-P energy: -50.031
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -60.462
flat angles P-C4'-P energy: -40.127
tors. eta vs tors. theta energy: -78.014
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: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -782.982391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.982391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.982391 (E_RNA)
where:
Base-Base interactions energy: -557.197
where: short stacking energy: -214.179
Base-Backbone interact. energy: -1.493
local terms energy: -224.292499
where:
bonds (distance) C4'-P energy: -40.148
bonds (distance) P-C4' energy: -43.098
flat angles C4'-P-C4' energy: -48.682
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -56.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -789.079421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.079421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.079421 (E_RNA)
where:
Base-Base interactions energy: -541.884
where: short stacking energy: -235.107
Base-Backbone interact. energy: -2.981
local terms energy: -244.213979
where:
bonds (distance) C4'-P energy: -44.384
bonds (distance) P-C4' energy: -48.387
flat angles C4'-P-C4' energy: -52.180
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: -70.466
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: 141
Temperature: 1.050000
Total energy: -740.078416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.078416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.078416 (E_RNA)
where:
Base-Base interactions energy: -498.925
where: short stacking energy: -221.935
Base-Backbone interact. energy: 2.007
local terms energy: -243.160505
where:
bonds (distance) C4'-P energy: -43.885
bonds (distance) P-C4' energy: -50.418
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -32.390
tors. eta vs tors. theta energy: -64.764
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: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -637.002836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.002836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.002836 (E_RNA)
where:
Base-Base interactions energy: -409.632
where: short stacking energy: -186.250
Base-Backbone interact. energy: -0.422
local terms energy: -226.949542
where:
bonds (distance) C4'-P energy: -45.020
bonds (distance) P-C4' energy: -43.359
flat angles C4'-P-C4' energy: -42.633
flat angles P-C4'-P energy: -39.947
tors. eta vs tors. theta energy: -55.991
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: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -547.833942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.833942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.833942 (E_RNA)
where:
Base-Base interactions energy: -351.070
where: short stacking energy: -159.497
Base-Backbone interact. energy: -0.350
local terms energy: -196.414346
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -41.053
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -42.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -470.743155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.743155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.743155 (E_RNA)
where:
Base-Base interactions energy: -305.338
where: short stacking energy: -151.577
Base-Backbone interact. energy: -1.592
local terms energy: -163.812811
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -42.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -337.014843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.014843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.014843 (E_RNA)
where:
Base-Base interactions energy: -177.619
where: short stacking energy: -108.090
Base-Backbone interact. energy: -0.615
local terms energy: -158.781310
where:
bonds (distance) C4'-P energy: -32.008
bonds (distance) P-C4' energy: -50.436
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -27.366
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -212.829343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.829343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.829343 (E_RNA)
where:
Base-Base interactions energy: -89.058
where: short stacking energy: -82.088
Base-Backbone interact. energy: -0.207
local terms energy: -123.563420
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: 0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -192.138278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.138278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.138278 (E_RNA)
where:
Base-Base interactions energy: -64.407
where: short stacking energy: -59.490
Base-Backbone interact. energy: -0.637
local terms energy: -127.093734
where:
bonds (distance) C4'-P energy: -29.257
bonds (distance) P-C4' energy: -33.423
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -881.684441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.684441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.684441 (E_RNA)
where:
Base-Base interactions energy: -621.297
where: short stacking energy: -258.658
Base-Backbone interact. energy: -0.152
local terms energy: -260.235475
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -57.361
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -74.443
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: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -799.511058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.511058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.511058 (E_RNA)
where:
Base-Base interactions energy: -555.352
where: short stacking energy: -220.082
Base-Backbone interact. energy: -0.786
local terms energy: -243.373359
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -48.857
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -33.762
tors. eta vs tors. theta energy: -54.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -733.771320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.771320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.771320 (E_RNA)
where:
Base-Base interactions energy: -504.873
where: short stacking energy: -209.261
Base-Backbone interact. energy: -0.247
local terms energy: -228.651028
where:
bonds (distance) C4'-P energy: -43.636
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -51.327
flat angles P-C4'-P energy: -28.252
tors. eta vs tors. theta energy: -60.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -722.139823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.139823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.139823 (E_RNA)
where:
Base-Base interactions energy: -497.721
where: short stacking energy: -205.783
Base-Backbone interact. energy: -2.444
local terms energy: -221.974989
where:
bonds (distance) C4'-P energy: -38.203
bonds (distance) P-C4' energy: -39.523
flat angles C4'-P-C4' energy: -50.499
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -67.368
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: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -592.059620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.059620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.059620 (E_RNA)
where:
Base-Base interactions energy: -372.946
where: short stacking energy: -166.466
Base-Backbone interact. energy: -1.792
local terms energy: -217.322308
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -45.699
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -56.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -621.027835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.027835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.027835 (E_RNA)
where:
Base-Base interactions energy: -415.156
where: short stacking energy: -207.831
Base-Backbone interact. energy: -1.307
local terms energy: -204.564133
where:
bonds (distance) C4'-P energy: -29.362
bonds (distance) P-C4' energy: -44.038
flat angles C4'-P-C4' energy: -47.869
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -55.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -470.872220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.872220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.872220 (E_RNA)
where:
Base-Base interactions energy: -320.132
where: short stacking energy: -147.659
Base-Backbone interact. energy: 1.241
local terms energy: -151.981744
where:
bonds (distance) C4'-P energy: -38.604
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -34.994
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -21.047
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -374.658024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.658024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.658024 (E_RNA)
where:
Base-Base interactions energy: -213.795
where: short stacking energy: -118.068
Base-Backbone interact. energy: -0.442
local terms energy: -160.420760
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -41.739
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -208.437480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.437480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.437480 (E_RNA)
where:
Base-Base interactions energy: -87.739
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.850
local terms energy: -119.848762
where:
bonds (distance) C4'-P energy: -41.871
bonds (distance) P-C4' energy: -33.529
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -24.452
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: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -202.907027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.907027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.907027 (E_RNA)
where:
Base-Base interactions energy: -72.524
where: short stacking energy: -65.309
Base-Backbone interact. energy: 0.011
local terms energy: -130.394744
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -39.380
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -26.205
tors. eta vs tors. theta energy: 1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -884.219446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.219446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.219446 (E_RNA)
where:
Base-Base interactions energy: -626.305
where: short stacking energy: -251.302
Base-Backbone interact. energy: -1.264
local terms energy: -256.650330
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -53.623
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -75.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -779.096315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.096315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.096315 (E_RNA)
where:
Base-Base interactions energy: -555.111
where: short stacking energy: -218.549
Base-Backbone interact. energy: -2.974
local terms energy: -221.011266
where:
bonds (distance) C4'-P energy: -39.365
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -47.609
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -53.737
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: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -710.126592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.126592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.126592 (E_RNA)
where:
Base-Base interactions energy: -490.435
where: short stacking energy: -205.369
Base-Backbone interact. energy: 0.632
local terms energy: -220.323231
where:
bonds (distance) C4'-P energy: -40.121
bonds (distance) P-C4' energy: -42.899
flat angles C4'-P-C4' energy: -41.519
flat angles P-C4'-P energy: -32.901
tors. eta vs tors. theta energy: -62.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -727.501095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.501095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.501095 (E_RNA)
where:
Base-Base interactions energy: -503.871
where: short stacking energy: -209.375
Base-Backbone interact. energy: -1.779
local terms energy: -221.850452
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -46.478
flat angles P-C4'-P energy: -31.561
tors. eta vs tors. theta energy: -67.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -602.578420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.578420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.578420 (E_RNA)
where:
Base-Base interactions energy: -383.990
where: short stacking energy: -198.860
Base-Backbone interact. energy: -0.536
local terms energy: -218.052524
where:
bonds (distance) C4'-P energy: -47.291
bonds (distance) P-C4' energy: -37.578
flat angles C4'-P-C4' energy: -44.979
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -58.640
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: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -615.971759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.971759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.971759 (E_RNA)
where:
Base-Base interactions energy: -420.192
where: short stacking energy: -180.433
Base-Backbone interact. energy: 3.354
local terms energy: -199.133103
where:
bonds (distance) C4'-P energy: -42.492
bonds (distance) P-C4' energy: -31.198
flat angles C4'-P-C4' energy: -46.544
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -55.737
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: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -458.390934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.390934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.390934 (E_RNA)
where:
Base-Base interactions energy: -273.703
where: short stacking energy: -130.310
Base-Backbone interact. energy: -0.698
local terms energy: -183.990561
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -43.994
flat angles C4'-P-C4' energy: -42.236
flat angles P-C4'-P energy: -29.772
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: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -381.251289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.251289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.251289 (E_RNA)
where:
Base-Base interactions energy: -208.293
where: short stacking energy: -133.978
Base-Backbone interact. energy: -0.613
local terms energy: -172.345226
where:
bonds (distance) C4'-P energy: -41.592
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: -29.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -235.590453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.590453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.590453 (E_RNA)
where:
Base-Base interactions energy: -77.720
where: short stacking energy: -69.731
Base-Backbone interact. energy: -1.217
local terms energy: -156.654179
where:
bonds (distance) C4'-P energy: -39.811
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -41.357
flat angles P-C4'-P energy: -25.557
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: 143
Temperature: 1.350000
Total energy: -184.949768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.949768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.949768 (E_RNA)
where:
Base-Base interactions energy: -55.296
where: short stacking energy: -52.243
Base-Backbone interact. energy: 1.102
local terms energy: -130.755898
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -50.601
flat angles C4'-P-C4' energy: -29.811
flat angles P-C4'-P energy: -18.204
tors. eta vs tors. theta energy: 6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -886.403154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.403154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.403154 (E_RNA)
where:
Base-Base interactions energy: -624.676
where: short stacking energy: -261.037
Base-Backbone interact. energy: -0.321
local terms energy: -261.407023
where:
bonds (distance) C4'-P energy: -40.812
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -74.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -781.947033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.947033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.947033 (E_RNA)
where:
Base-Base interactions energy: -564.256
where: short stacking energy: -203.973
Base-Backbone interact. energy: 1.273
local terms energy: -218.964625
where:
bonds (distance) C4'-P energy: -41.224
bonds (distance) P-C4' energy: -39.565
flat angles C4'-P-C4' energy: -47.897
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -51.681
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: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -732.121456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.121456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.121456 (E_RNA)
where:
Base-Base interactions energy: -499.914
where: short stacking energy: -220.018
Base-Backbone interact. energy: -2.095
local terms energy: -230.111930
where:
bonds (distance) C4'-P energy: -45.237
bonds (distance) P-C4' energy: -45.097
flat angles C4'-P-C4' energy: -44.689
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -64.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -702.250203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.250203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.250203 (E_RNA)
where:
Base-Base interactions energy: -462.223
where: short stacking energy: -208.584
Base-Backbone interact. energy: -2.562
local terms energy: -237.465073
where:
bonds (distance) C4'-P energy: -49.693
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -50.278
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -63.762
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: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -701.205410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.205410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.205410 (E_RNA)
where:
Base-Base interactions energy: -470.609
where: short stacking energy: -213.975
Base-Backbone interact. energy: -0.626
local terms energy: -229.970266
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -46.968
flat angles C4'-P-C4' energy: -52.841
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -59.225
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -567.343992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.343992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.343992 (E_RNA)
where:
Base-Base interactions energy: -359.519
where: short stacking energy: -162.477
Base-Backbone interact. energy: 1.069
local terms energy: -208.893750
where:
bonds (distance) C4'-P energy: -39.787
bonds (distance) P-C4' energy: -46.781
flat angles C4'-P-C4' energy: -47.860
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -43.834
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: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -508.463613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.463613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.463613 (E_RNA)
where:
Base-Base interactions energy: -318.245
where: short stacking energy: -139.708
Base-Backbone interact. energy: 1.196
local terms energy: -191.414849
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -51.485
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -37.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -320.411754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.411754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.411754 (E_RNA)
where:
Base-Base interactions energy: -177.026
where: short stacking energy: -95.709
Base-Backbone interact. energy: 0.772
local terms energy: -144.158143
where:
bonds (distance) C4'-P energy: -39.332
bonds (distance) P-C4' energy: -35.944
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -213.091675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.091675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.091675 (E_RNA)
where:
Base-Base interactions energy: -72.516
where: short stacking energy: -50.373
Base-Backbone interact. energy: -0.116
local terms energy: -140.460249
where:
bonds (distance) C4'-P energy: -46.506
bonds (distance) P-C4' energy: -38.765
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: 3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -196.492562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.492562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.492562 (E_RNA)
where:
Base-Base interactions energy: -72.608
where: short stacking energy: -69.760
Base-Backbone interact. energy: 1.183
local terms energy: -125.066986
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -27.613
flat angles P-C4'-P energy: -35.791
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -882.124704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.124704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.124704 (E_RNA)
where:
Base-Base interactions energy: -607.028
where: short stacking energy: -262.789
Base-Backbone interact. energy: -0.250
local terms energy: -274.846424
where:
bonds (distance) C4'-P energy: -46.952
bonds (distance) P-C4' energy: -50.029
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -81.818
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: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -764.163709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.163709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.163709 (E_RNA)
where:
Base-Base interactions energy: -521.387
where: short stacking energy: -230.411
Base-Backbone interact. energy: -0.666
local terms energy: -242.110781
where:
bonds (distance) C4'-P energy: -45.941
bonds (distance) P-C4' energy: -43.297
flat angles C4'-P-C4' energy: -51.516
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -65.170
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: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -746.862666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.862666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.862666 (E_RNA)
where:
Base-Base interactions energy: -521.734
where: short stacking energy: -206.553
Base-Backbone interact. energy: 0.585
local terms energy: -225.713532
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -43.138
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -37.681
tors. eta vs tors. theta energy: -53.348
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: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -710.374056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.374056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.374056 (E_RNA)
where:
Base-Base interactions energy: -480.808
where: short stacking energy: -215.797
Base-Backbone interact. energy: -0.657
local terms energy: -228.909520
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -45.468
flat angles C4'-P-C4' energy: -49.475
flat angles P-C4'-P energy: -26.934
tors. eta vs tors. theta energy: -62.703
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: 7
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -696.379624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.379624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.379624 (E_RNA)
where:
Base-Base interactions energy: -479.802
where: short stacking energy: -224.478
Base-Backbone interact. energy: -1.084
local terms energy: -215.493877
where:
bonds (distance) C4'-P energy: -45.015
bonds (distance) P-C4' energy: -40.018
flat angles C4'-P-C4' energy: -45.265
flat angles P-C4'-P energy: -29.123
tors. eta vs tors. theta energy: -56.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -562.603721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.603721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.603721 (E_RNA)
where:
Base-Base interactions energy: -357.604
where: short stacking energy: -163.313
Base-Backbone interact. energy: -0.547
local terms energy: -204.453131
where:
bonds (distance) C4'-P energy: -41.075
bonds (distance) P-C4' energy: -36.992
flat angles C4'-P-C4' energy: -45.199
flat angles P-C4'-P energy: -30.955
tors. eta vs tors. theta energy: -50.231
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: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -563.076844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.076844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.076844 (E_RNA)
where:
Base-Base interactions energy: -375.755
where: short stacking energy: -147.147
Base-Backbone interact. energy: 2.482
local terms energy: -189.803578
where:
bonds (distance) C4'-P energy: -33.958
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -46.594
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -39.191
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: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -354.808069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.808069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.808069 (E_RNA)
where:
Base-Base interactions energy: -211.179
where: short stacking energy: -108.466
Base-Backbone interact. energy: -0.709
local terms energy: -142.919990
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -21.336
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -236.459430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.459430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.459430 (E_RNA)
where:
Base-Base interactions energy: -124.018
where: short stacking energy: -90.686
Base-Backbone interact. energy: -0.064
local terms energy: -112.377701
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -4.839
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: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -200.580890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.580890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.580890 (E_RNA)
where:
Base-Base interactions energy: -69.657
where: short stacking energy: -61.358
Base-Backbone interact. energy: -0.347
local terms energy: -130.577507
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -43.045
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: 0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -883.705717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.705717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.705717 (E_RNA)
where:
Base-Base interactions energy: -617.181
where: short stacking energy: -266.564
Base-Backbone interact. energy: -0.927
local terms energy: -265.598255
where:
bonds (distance) C4'-P energy: -42.662
bonds (distance) P-C4' energy: -48.397
flat angles C4'-P-C4' energy: -52.622
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -79.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -765.345504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.345504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.345504 (E_RNA)
where:
Base-Base interactions energy: -520.726
where: short stacking energy: -224.745
Base-Backbone interact. energy: -3.807
local terms energy: -240.812483
where:
bonds (distance) C4'-P energy: -44.393
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -56.118
flat angles P-C4'-P energy: -35.408
tors. eta vs tors. theta energy: -66.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -757.788389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.788389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.788389 (E_RNA)
where:
Base-Base interactions energy: -542.848
where: short stacking energy: -205.116
Base-Backbone interact. energy: -0.373
local terms energy: -214.567675
where:
bonds (distance) C4'-P energy: -40.003
bonds (distance) P-C4' energy: -45.554
flat angles C4'-P-C4' energy: -48.464
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -50.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -712.815536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.815536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.815536 (E_RNA)
where:
Base-Base interactions energy: -487.844
where: short stacking energy: -205.359
Base-Backbone interact. energy: -1.090
local terms energy: -223.881241
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -46.510
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -64.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -670.916836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.916836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.916836 (E_RNA)
where:
Base-Base interactions energy: -467.217
where: short stacking energy: -208.992
Base-Backbone interact. energy: 2.620
local terms energy: -206.319880
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -44.538
flat angles C4'-P-C4' energy: -39.005
flat angles P-C4'-P energy: -26.953
tors. eta vs tors. theta energy: -52.919
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: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -553.570992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.570992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.570992 (E_RNA)
where:
Base-Base interactions energy: -360.858
where: short stacking energy: -160.178
Base-Backbone interact. energy: -0.972
local terms energy: -191.741328
where:
bonds (distance) C4'-P energy: -42.758
bonds (distance) P-C4' energy: -34.266
flat angles C4'-P-C4' energy: -43.763
flat angles P-C4'-P energy: -29.972
tors. eta vs tors. theta energy: -40.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -544.374669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.374669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.374669 (E_RNA)
where:
Base-Base interactions energy: -356.256
where: short stacking energy: -142.840
Base-Backbone interact. energy: -0.130
local terms energy: -187.989132
where:
bonds (distance) C4'-P energy: -45.270
bonds (distance) P-C4' energy: -38.652
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -25.150
tors. eta vs tors. theta energy: -37.205
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: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -385.217075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.217075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.217075 (E_RNA)
where:
Base-Base interactions energy: -220.290
where: short stacking energy: -120.689
Base-Backbone interact. energy: -1.054
local terms energy: -163.873679
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -33.830
flat angles P-C4'-P energy: -25.399
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -219.925516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.925516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.925516 (E_RNA)
where:
Base-Base interactions energy: -101.831
where: short stacking energy: -58.153
Base-Backbone interact. energy: 0.111
local terms energy: -118.205349
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -39.810
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: 6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -203.570922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.570922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.570922 (E_RNA)
where:
Base-Base interactions energy: -65.542
where: short stacking energy: -63.975
Base-Backbone interact. energy: -0.987
local terms energy: -137.042103
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -29.030
flat angles C4'-P-C4' energy: -34.301
flat angles P-C4'-P energy: -26.289
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -873.866407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.866407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.866407 (E_RNA)
where:
Base-Base interactions energy: -606.621
where: short stacking energy: -256.164
Base-Backbone interact. energy: -1.371
local terms energy: -265.874798
where:
bonds (distance) C4'-P energy: -46.576
bonds (distance) P-C4' energy: -48.231
flat angles C4'-P-C4' energy: -50.290
flat angles P-C4'-P energy: -39.865
tors. eta vs tors. theta energy: -80.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -784.418730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.418730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.418730 (E_RNA)
where:
Base-Base interactions energy: -536.586
where: short stacking energy: -230.741
Base-Backbone interact. energy: -4.411
local terms energy: -243.421357
where:
bonds (distance) C4'-P energy: -42.810
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -51.999
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -69.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -777.365169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.365169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.365169 (E_RNA)
where:
Base-Base interactions energy: -541.928
where: short stacking energy: -224.564
Base-Backbone interact. energy: -1.297
local terms energy: -234.139618
where:
bonds (distance) C4'-P energy: -41.767
bonds (distance) P-C4' energy: -50.537
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: -54.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -706.566795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.566795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.566795 (E_RNA)
where:
Base-Base interactions energy: -470.250
where: short stacking energy: -203.296
Base-Backbone interact. energy: 0.573
local terms energy: -236.889405
where:
bonds (distance) C4'-P energy: -46.107
bonds (distance) P-C4' energy: -43.686
flat angles C4'-P-C4' energy: -48.593
flat angles P-C4'-P energy: -31.191
tors. eta vs tors. theta energy: -67.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -700.972488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.972488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.972488 (E_RNA)
where:
Base-Base interactions energy: -469.566
where: short stacking energy: -215.586
Base-Backbone interact. energy: -0.103
local terms energy: -231.303599
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -49.006
flat angles C4'-P-C4' energy: -50.133
flat angles P-C4'-P energy: -28.973
tors. eta vs tors. theta energy: -55.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -590.539935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.539935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.539935 (E_RNA)
where:
Base-Base interactions energy: -388.121
where: short stacking energy: -172.920
Base-Backbone interact. energy: -0.736
local terms energy: -201.682724
where:
bonds (distance) C4'-P energy: -40.769
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -42.348
flat angles P-C4'-P energy: -31.771
tors. eta vs tors. theta energy: -44.673
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: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -543.968941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.968941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.968941 (E_RNA)
where:
Base-Base interactions energy: -356.729
where: short stacking energy: -158.415
Base-Backbone interact. energy: -0.792
local terms energy: -186.447382
where:
bonds (distance) C4'-P energy: -35.909
bonds (distance) P-C4' energy: -41.408
flat angles C4'-P-C4' energy: -42.563
flat angles P-C4'-P energy: -26.701
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: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -391.674351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.674351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.674351 (E_RNA)
where:
Base-Base interactions energy: -230.540
where: short stacking energy: -99.403
Base-Backbone interact. energy: -0.282
local terms energy: -160.852818
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -44.806
flat angles P-C4'-P energy: -34.046
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -209.363059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.363059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.363059 (E_RNA)
where:
Base-Base interactions energy: -71.364
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.956
local terms energy: -137.043039
where:
bonds (distance) C4'-P energy: -37.364
bonds (distance) P-C4' energy: -38.385
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -26.318
tors. eta vs tors. theta energy: 1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -222.045235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.045235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.045235 (E_RNA)
where:
Base-Base interactions energy: -74.033
where: short stacking energy: -64.461
Base-Backbone interact. energy: -1.010
local terms energy: -147.002250
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -33.793
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -871.848180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.848180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.848180 (E_RNA)
where:
Base-Base interactions energy: -607.742
where: short stacking energy: -261.365
Base-Backbone interact. energy: -0.119
local terms energy: -263.986815
where:
bonds (distance) C4'-P energy: -49.207
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -37.240
tors. eta vs tors. theta energy: -77.266
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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -803.429179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.429179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.429179 (E_RNA)
where:
Base-Base interactions energy: -551.057
where: short stacking energy: -238.141
Base-Backbone interact. energy: -3.426
local terms energy: -248.945994
where:
bonds (distance) C4'-P energy: -45.466
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -51.142
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: -65.709
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: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -726.438863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.438863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.438863 (E_RNA)
where:
Base-Base interactions energy: -499.154
where: short stacking energy: -217.120
Base-Backbone interact. energy: -2.149
local terms energy: -225.135136
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -45.010
flat angles C4'-P-C4' energy: -53.943
flat angles P-C4'-P energy: -28.964
tors. eta vs tors. theta energy: -55.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -703.835225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.835225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.835225 (E_RNA)
where:
Base-Base interactions energy: -478.144
where: short stacking energy: -202.932
Base-Backbone interact. energy: -0.825
local terms energy: -224.866937
where:
bonds (distance) C4'-P energy: -41.990
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -50.051
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -59.209
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: 148
Temperature: 1.100000
Total energy: -694.338489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.338489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.338489 (E_RNA)
where:
Base-Base interactions energy: -469.069
where: short stacking energy: -212.055
Base-Backbone interact. energy: 0.303
local terms energy: -225.572178
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -51.474
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -32.182
tors. eta vs tors. theta energy: -59.847
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: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -589.276660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.276660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.276660 (E_RNA)
where:
Base-Base interactions energy: -392.887
where: short stacking energy: -181.280
Base-Backbone interact. energy: -1.089
local terms energy: -195.300703
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -41.989
flat angles C4'-P-C4' energy: -48.408
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -42.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -579.797039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.797039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.797039 (E_RNA)
where:
Base-Base interactions energy: -377.546
where: short stacking energy: -157.301
Base-Backbone interact. energy: -1.438
local terms energy: -200.812633
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -43.149
flat angles C4'-P-C4' energy: -46.549
flat angles P-C4'-P energy: -32.066
tors. eta vs tors. theta energy: -44.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -380.817901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.817901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.817901 (E_RNA)
where:
Base-Base interactions energy: -226.292
where: short stacking energy: -107.692
Base-Backbone interact. energy: -1.667
local terms energy: -152.859181
where:
bonds (distance) C4'-P energy: -39.987
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -42.710
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -228.232125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.232125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.232125 (E_RNA)
where:
Base-Base interactions energy: -73.005
where: short stacking energy: -42.722
Base-Backbone interact. energy: -1.979
local terms energy: -153.248664
where:
bonds (distance) C4'-P energy: -39.147
bonds (distance) P-C4' energy: -46.540
flat angles C4'-P-C4' energy: -41.444
flat angles P-C4'-P energy: -33.608
tors. eta vs tors. theta energy: 7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -255.295617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.295617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.295617 (E_RNA)
where:
Base-Base interactions energy: -131.069
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.180
local terms energy: -124.047383
where:
bonds (distance) C4'-P energy: -37.684
bonds (distance) P-C4' energy: -32.098
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -21.243
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -872.051239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.051239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.051239 (E_RNA)
where:
Base-Base interactions energy: -613.128
where: short stacking energy: -256.058
Base-Backbone interact. energy: 2.685
local terms energy: -261.607798
where:
bonds (distance) C4'-P energy: -44.958
bonds (distance) P-C4' energy: -48.977
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -77.830
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: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -806.854459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.854459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.854459 (E_RNA)
where:
Base-Base interactions energy: -565.917
where: short stacking energy: -242.395
Base-Backbone interact. energy: -2.106
local terms energy: -238.831124
where:
bonds (distance) C4'-P energy: -36.153
bonds (distance) P-C4' energy: -49.427
flat angles C4'-P-C4' energy: -49.340
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -74.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -764.356310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.356310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.356310 (E_RNA)
where:
Base-Base interactions energy: -541.683
where: short stacking energy: -236.815
Base-Backbone interact. energy: 0.433
local terms energy: -223.105743
where:
bonds (distance) C4'-P energy: -39.858
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -49.122
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -59.418
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: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -706.430323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.430323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.430323 (E_RNA)
where:
Base-Base interactions energy: -488.051
where: short stacking energy: -203.928
Base-Backbone interact. energy: -0.842
local terms energy: -217.537510
where:
bonds (distance) C4'-P energy: -37.798
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -56.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -706.969656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.969656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.969656 (E_RNA)
where:
Base-Base interactions energy: -491.192
where: short stacking energy: -213.152
Base-Backbone interact. energy: -0.360
local terms energy: -215.416861
where:
bonds (distance) C4'-P energy: -36.424
bonds (distance) P-C4' energy: -38.406
flat angles C4'-P-C4' energy: -51.648
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -58.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -609.247000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.247000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.247000 (E_RNA)
where:
Base-Base interactions energy: -406.992
where: short stacking energy: -172.656
Base-Backbone interact. energy: 0.906
local terms energy: -203.161117
where:
bonds (distance) C4'-P energy: -44.860
bonds (distance) P-C4' energy: -47.217
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -44.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -579.901796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.901796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.901796 (E_RNA)
where:
Base-Base interactions energy: -397.903
where: short stacking energy: -163.552
Base-Backbone interact. energy: -0.272
local terms energy: -181.725967
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -41.711
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -39.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -343.332164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.332164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.332164 (E_RNA)
where:
Base-Base interactions energy: -171.087
where: short stacking energy: -85.706
Base-Backbone interact. energy: 1.042
local terms energy: -173.287395
where:
bonds (distance) C4'-P energy: -40.191
bonds (distance) P-C4' energy: -50.688
flat angles C4'-P-C4' energy: -40.404
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -9.047
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: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -220.201068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.201068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.201068 (E_RNA)
where:
Base-Base interactions energy: -75.808
where: short stacking energy: -72.072
Base-Backbone interact. energy: -0.901
local terms energy: -143.491286
where:
bonds (distance) C4'-P energy: -37.397
bonds (distance) P-C4' energy: -44.885
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -27.419
tors. eta vs tors. theta energy: 1.705
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: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -280.731251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.731251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.731251 (E_RNA)
where:
Base-Base interactions energy: -136.477
where: short stacking energy: -75.659
Base-Backbone interact. energy: 1.259
local terms energy: -145.512648
where:
bonds (distance) C4'-P energy: -45.415
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -37.369
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -868.210772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.210772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.210772 (E_RNA)
where:
Base-Base interactions energy: -609.011
where: short stacking energy: -251.064
Base-Backbone interact. energy: -0.059
local terms energy: -259.141231
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -50.032
flat angles C4'-P-C4' energy: -54.381
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -76.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -801.254693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.254693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.254693 (E_RNA)
where:
Base-Base interactions energy: -563.145
where: short stacking energy: -234.173
Base-Backbone interact. energy: -2.900
local terms energy: -235.209613
where:
bonds (distance) C4'-P energy: -42.858
bonds (distance) P-C4' energy: -38.403
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -31.819
tors. eta vs tors. theta energy: -72.790
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: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -777.925980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.925980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.925980 (E_RNA)
where:
Base-Base interactions energy: -550.508
where: short stacking energy: -233.043
Base-Backbone interact. energy: 0.339
local terms energy: -227.756540
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -50.691
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -60.741
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: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -710.382764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.382764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.382764 (E_RNA)
where:
Base-Base interactions energy: -490.923
where: short stacking energy: -214.388
Base-Backbone interact. energy: -0.081
local terms energy: -219.378865
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -51.503
flat angles C4'-P-C4' energy: -40.783
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -60.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -722.529484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.529484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.529484 (E_RNA)
where:
Base-Base interactions energy: -495.086
where: short stacking energy: -193.219
Base-Backbone interact. energy: -1.893
local terms energy: -225.550574
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -37.154
flat angles C4'-P-C4' energy: -52.309
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -54.633
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: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -619.940773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.940773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.940773 (E_RNA)
where:
Base-Base interactions energy: -416.217
where: short stacking energy: -185.388
Base-Backbone interact. energy: -0.409
local terms energy: -203.314511
where:
bonds (distance) C4'-P energy: -37.349
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -49.504
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -55.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -581.812402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.812402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.812402 (E_RNA)
where:
Base-Base interactions energy: -384.847
where: short stacking energy: -160.669
Base-Backbone interact. energy: 0.360
local terms energy: -197.325297
where:
bonds (distance) C4'-P energy: -43.722
bonds (distance) P-C4' energy: -45.652
flat angles C4'-P-C4' energy: -42.318
flat angles P-C4'-P energy: -29.851
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: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -349.439647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.439647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.439647 (E_RNA)
where:
Base-Base interactions energy: -195.228
where: short stacking energy: -105.408
Base-Backbone interact. energy: -1.413
local terms energy: -152.798570
where:
bonds (distance) C4'-P energy: -35.769
bonds (distance) P-C4' energy: -49.811
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -211.305010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.305010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.305010 (E_RNA)
where:
Base-Base interactions energy: -77.396
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.534
local terms energy: -133.374936
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -37.567
flat angles P-C4'-P energy: -8.735
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: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -198.749905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.749905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.749905 (E_RNA)
where:
Base-Base interactions energy: -79.996
where: short stacking energy: -47.523
Base-Backbone interact. energy: -0.408
local terms energy: -118.346507
where:
bonds (distance) C4'-P energy: -36.085
bonds (distance) P-C4' energy: -38.287
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: 2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -882.186554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.186554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.186554 (E_RNA)
where:
Base-Base interactions energy: -623.524
where: short stacking energy: -268.437
Base-Backbone interact. energy: -0.600
local terms energy: -258.062203
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -77.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -800.963240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.963240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.963240 (E_RNA)
where:
Base-Base interactions energy: -554.131
where: short stacking energy: -235.051
Base-Backbone interact. energy: -0.407
local terms energy: -246.425550
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -47.448
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: -72.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -774.059288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.059288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.059288 (E_RNA)
where:
Base-Base interactions energy: -539.316
where: short stacking energy: -215.786
Base-Backbone interact. energy: -0.803
local terms energy: -233.940595
where:
bonds (distance) C4'-P energy: -46.132
bonds (distance) P-C4' energy: -46.441
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -29.504
tors. eta vs tors. theta energy: -59.240
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: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -717.770441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.770441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.770441 (E_RNA)
where:
Base-Base interactions energy: -502.467
where: short stacking energy: -222.480
Base-Backbone interact. energy: -0.414
local terms energy: -214.889644
where:
bonds (distance) C4'-P energy: -35.254
bonds (distance) P-C4' energy: -40.099
flat angles C4'-P-C4' energy: -49.230
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -60.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -671.415782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.415782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.415782 (E_RNA)
where:
Base-Base interactions energy: -449.720
where: short stacking energy: -196.964
Base-Backbone interact. energy: -1.071
local terms energy: -220.624764
where:
bonds (distance) C4'-P energy: -43.364
bonds (distance) P-C4' energy: -40.673
flat angles C4'-P-C4' energy: -43.925
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -59.018
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -615.752820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.752820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.752820 (E_RNA)
where:
Base-Base interactions energy: -415.449
where: short stacking energy: -172.197
Base-Backbone interact. energy: 0.075
local terms energy: -200.378366
where:
bonds (distance) C4'-P energy: -40.507
bonds (distance) P-C4' energy: -41.111
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -29.678
tors. eta vs tors. theta energy: -42.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -568.387411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.387411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.387411 (E_RNA)
where:
Base-Base interactions energy: -370.902
where: short stacking energy: -161.021
Base-Backbone interact. energy: -1.544
local terms energy: -195.941803
where:
bonds (distance) C4'-P energy: -39.577
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -43.039
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -47.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -345.290784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.290784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.290784 (E_RNA)
where:
Base-Base interactions energy: -188.114
where: short stacking energy: -101.894
Base-Backbone interact. energy: 0.678
local terms energy: -157.855547
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -21.682
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -232.330804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.330804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.330804 (E_RNA)
where:
Base-Base interactions energy: -88.904
where: short stacking energy: -76.687
Base-Backbone interact. energy: -1.592
local terms energy: -141.834843
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -40.631
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: -1.106
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: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -197.248635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.248635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.248635 (E_RNA)
where:
Base-Base interactions energy: -56.544
where: short stacking energy: -42.930
Base-Backbone interact. energy: -0.988
local terms energy: -139.716692
where:
bonds (distance) C4'-P energy: -38.384
bonds (distance) P-C4' energy: -46.662
flat angles C4'-P-C4' energy: -36.450
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: 4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -865.409115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.409115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.409115 (E_RNA)
where:
Base-Base interactions energy: -614.100
where: short stacking energy: -257.737
Base-Backbone interact. energy: -0.601
local terms energy: -250.707679
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -41.337
flat angles C4'-P-C4' energy: -50.316
flat angles P-C4'-P energy: -35.112
tors. eta vs tors. theta energy: -72.737
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: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -801.592271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.592271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.592271 (E_RNA)
where:
Base-Base interactions energy: -553.178
where: short stacking energy: -230.949
Base-Backbone interact. energy: 4.611
local terms energy: -253.025074
where:
bonds (distance) C4'-P energy: -48.791
bonds (distance) P-C4' energy: -49.187
flat angles C4'-P-C4' energy: -43.345
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -74.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -759.741859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.741859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.741859 (E_RNA)
where:
Base-Base interactions energy: -520.010
where: short stacking energy: -224.241
Base-Backbone interact. energy: -1.617
local terms energy: -238.115254
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -46.073
flat angles C4'-P-C4' energy: -47.295
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -60.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -755.299110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.299110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.299110 (E_RNA)
where:
Base-Base interactions energy: -522.755
where: short stacking energy: -233.103
Base-Backbone interact. energy: -0.278
local terms energy: -232.266517
where:
bonds (distance) C4'-P energy: -44.163
bonds (distance) P-C4' energy: -41.565
flat angles C4'-P-C4' energy: -49.957
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -64.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -671.520809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.520809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.520809 (E_RNA)
where:
Base-Base interactions energy: -455.013
where: short stacking energy: -187.501
Base-Backbone interact. energy: 0.102
local terms energy: -216.609707
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -39.904
flat angles C4'-P-C4' energy: -50.015
flat angles P-C4'-P energy: -32.765
tors. eta vs tors. theta energy: -52.276
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: 152
Temperature: 1.150000
Total energy: -614.234721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.234721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.234721 (E_RNA)
where:
Base-Base interactions energy: -423.015
where: short stacking energy: -178.542
Base-Backbone interact. energy: 0.946
local terms energy: -192.166069
where:
bonds (distance) C4'-P energy: -45.921
bonds (distance) P-C4' energy: -33.820
flat angles C4'-P-C4' energy: -49.137
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -43.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -535.340342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.340342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.340342 (E_RNA)
where:
Base-Base interactions energy: -350.893
where: short stacking energy: -148.747
Base-Backbone interact. energy: -0.824
local terms energy: -183.624280
where:
bonds (distance) C4'-P energy: -38.410
bonds (distance) P-C4' energy: -35.962
flat angles C4'-P-C4' energy: -44.610
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -42.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -338.918555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.918555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.918555 (E_RNA)
where:
Base-Base interactions energy: -187.371
where: short stacking energy: -87.797
Base-Backbone interact. energy: 0.040
local terms energy: -151.587373
where:
bonds (distance) C4'-P energy: -32.887
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -39.353
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -215.054899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054899 (E_RNA)
where:
Base-Base interactions energy: -96.125
where: short stacking energy: -77.519
Base-Backbone interact. energy: 2.715
local terms energy: -121.645325
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -24.043
tors. eta vs tors. theta energy: 0.565
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: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -203.757825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.757825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.757825 (E_RNA)
where:
Base-Base interactions energy: -76.396
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.241
local terms energy: -127.120481
where:
bonds (distance) C4'-P energy: -38.100
bonds (distance) P-C4' energy: -28.950
flat angles C4'-P-C4' energy: -33.284
flat angles P-C4'-P energy: -26.502
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -871.633828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.633828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.633828 (E_RNA)
where:
Base-Base interactions energy: -601.433
where: short stacking energy: -257.722
Base-Backbone interact. energy: -0.033
local terms energy: -270.167566
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -57.601
flat angles P-C4'-P energy: -40.107
tors. eta vs tors. theta energy: -79.300
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: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -791.281176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.281176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.281176 (E_RNA)
where:
Base-Base interactions energy: -537.620
where: short stacking energy: -230.155
Base-Backbone interact. energy: -1.275
local terms energy: -252.386187
where:
bonds (distance) C4'-P energy: -44.224
bonds (distance) P-C4' energy: -48.778
flat angles C4'-P-C4' energy: -53.032
flat angles P-C4'-P energy: -39.679
tors. eta vs tors. theta energy: -66.673
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: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -789.433565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.433565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.433565 (E_RNA)
where:
Base-Base interactions energy: -544.466
where: short stacking energy: -229.116
Base-Backbone interact. energy: -0.161
local terms energy: -244.806410
where:
bonds (distance) C4'-P energy: -42.149
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -50.459
flat angles P-C4'-P energy: -33.348
tors. eta vs tors. theta energy: -73.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -731.340610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.340610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.340610 (E_RNA)
where:
Base-Base interactions energy: -494.610
where: short stacking energy: -217.597
Base-Backbone interact. energy: -0.535
local terms energy: -236.195515
where:
bonds (distance) C4'-P energy: -36.506
bonds (distance) P-C4' energy: -52.966
flat angles C4'-P-C4' energy: -46.568
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -61.497
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: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -679.034985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.034985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.034985 (E_RNA)
where:
Base-Base interactions energy: -445.715
where: short stacking energy: -199.780
Base-Backbone interact. energy: -0.150
local terms energy: -233.169883
where:
bonds (distance) C4'-P energy: -48.328
bonds (distance) P-C4' energy: -42.924
flat angles C4'-P-C4' energy: -42.133
flat angles P-C4'-P energy: -32.669
tors. eta vs tors. theta energy: -67.115
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: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -636.566880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.566880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.566880 (E_RNA)
where:
Base-Base interactions energy: -451.695
where: short stacking energy: -172.098
Base-Backbone interact. energy: -0.237
local terms energy: -184.635633
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -33.213
flat angles C4'-P-C4' energy: -46.189
flat angles P-C4'-P energy: -34.725
tors. eta vs tors. theta energy: -35.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -556.905842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.905842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.905842 (E_RNA)
where:
Base-Base interactions energy: -375.215
where: short stacking energy: -158.882
Base-Backbone interact. energy: 1.195
local terms energy: -182.885707
where:
bonds (distance) C4'-P energy: -38.040
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -44.914
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -39.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -350.291776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.291776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.291776 (E_RNA)
where:
Base-Base interactions energy: -201.470
where: short stacking energy: -113.151
Base-Backbone interact. energy: 0.188
local terms energy: -149.009643
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -39.102
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -225.596793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.596793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.596793 (E_RNA)
where:
Base-Base interactions energy: -78.470
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.402
local terms energy: -146.725097
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -40.874
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -32.167
tors. eta vs tors. theta energy: 4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -212.544287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.544287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.544287 (E_RNA)
where:
Base-Base interactions energy: -80.738
where: short stacking energy: -68.877
Base-Backbone interact. energy: 1.405
local terms energy: -133.211077
where:
bonds (distance) C4'-P energy: -44.048
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -28.375
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: 2.989
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: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -858.012460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.012460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.012460 (E_RNA)
where:
Base-Base interactions energy: -600.211
where: short stacking energy: -253.186
Base-Backbone interact. energy: -0.991
local terms energy: -256.809986
where:
bonds (distance) C4'-P energy: -46.922
bonds (distance) P-C4' energy: -45.029
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -81.557
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: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -765.180621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.180621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.180621 (E_RNA)
where:
Base-Base interactions energy: -533.442
where: short stacking energy: -219.103
Base-Backbone interact. energy: -1.354
local terms energy: -230.383997
where:
bonds (distance) C4'-P energy: -45.482
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -48.545
flat angles P-C4'-P energy: -39.339
tors. eta vs tors. theta energy: -60.840
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: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -784.057252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.057252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.057252 (E_RNA)
where:
Base-Base interactions energy: -541.623
where: short stacking energy: -238.074
Base-Backbone interact. energy: -1.545
local terms energy: -240.889300
where:
bonds (distance) C4'-P energy: -44.434
bonds (distance) P-C4' energy: -41.818
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -31.446
tors. eta vs tors. theta energy: -75.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -747.155670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.155670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.155670 (E_RNA)
where:
Base-Base interactions energy: -520.493
where: short stacking energy: -219.057
Base-Backbone interact. energy: -0.800
local terms energy: -225.861954
where:
bonds (distance) C4'-P energy: -45.179
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -46.323
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -65.748
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: 1
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -690.733950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.733950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.733950 (E_RNA)
where:
Base-Base interactions energy: -476.426
where: short stacking energy: -214.266
Base-Backbone interact. energy: -0.608
local terms energy: -213.700502
where:
bonds (distance) C4'-P energy: -33.569
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -49.606
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -60.143
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: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -599.219495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.219495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.219495 (E_RNA)
where:
Base-Base interactions energy: -417.903
where: short stacking energy: -170.333
Base-Backbone interact. energy: 3.624
local terms energy: -184.940236
where:
bonds (distance) C4'-P energy: -40.150
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -44.425
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -41.102
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: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -547.175824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.175824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.175824 (E_RNA)
where:
Base-Base interactions energy: -351.847
where: short stacking energy: -160.688
Base-Backbone interact. energy: 2.191
local terms energy: -197.519450
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -45.590
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -326.617379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.617379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.617379 (E_RNA)
where:
Base-Base interactions energy: -182.291
where: short stacking energy: -94.456
Base-Backbone interact. energy: -1.174
local terms energy: -143.152498
where:
bonds (distance) C4'-P energy: -36.058
bonds (distance) P-C4' energy: -41.878
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -211.108718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.108718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.108718 (E_RNA)
where:
Base-Base interactions energy: -70.219
where: short stacking energy: -63.319
Base-Backbone interact. energy: -1.264
local terms energy: -139.625157
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -49.080
flat angles C4'-P-C4' energy: -31.118
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: 4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -209.224998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.224998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.224998 (E_RNA)
where:
Base-Base interactions energy: -92.596
where: short stacking energy: -66.915
Base-Backbone interact. energy: 2.506
local terms energy: -119.135283
where:
bonds (distance) C4'-P energy: -33.004
bonds (distance) P-C4' energy: -45.200
flat angles C4'-P-C4' energy: -37.178
flat angles P-C4'-P energy: -10.032
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: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -860.516496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.516496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.516496 (E_RNA)
where:
Base-Base interactions energy: -593.784
where: short stacking energy: -257.965
Base-Backbone interact. energy: -0.793
local terms energy: -265.939816
where:
bonds (distance) C4'-P energy: -43.579
bonds (distance) P-C4' energy: -49.594
flat angles C4'-P-C4' energy: -51.574
flat angles P-C4'-P energy: -40.307
tors. eta vs tors. theta energy: -80.886
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: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -792.017022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.017022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.017022 (E_RNA)
where:
Base-Base interactions energy: -549.053
where: short stacking energy: -237.721
Base-Backbone interact. energy: -1.292
local terms energy: -241.671934
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -43.669
flat angles C4'-P-C4' energy: -44.022
flat angles P-C4'-P energy: -32.971
tors. eta vs tors. theta energy: -75.128
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: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -755.933309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.933309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.933309 (E_RNA)
where:
Base-Base interactions energy: -533.594
where: short stacking energy: -225.481
Base-Backbone interact. energy: -1.210
local terms energy: -221.129511
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -43.825
flat angles C4'-P-C4' energy: -48.396
flat angles P-C4'-P energy: -33.065
tors. eta vs tors. theta energy: -57.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -728.317044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.317044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.317044 (E_RNA)
where:
Base-Base interactions energy: -494.526
where: short stacking energy: -205.959
Base-Backbone interact. energy: -0.103
local terms energy: -233.687785
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -47.799
flat angles C4'-P-C4' energy: -41.525
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -60.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -677.779698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.779698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.779698 (E_RNA)
where:
Base-Base interactions energy: -467.538
where: short stacking energy: -194.399
Base-Backbone interact. energy: -0.699
local terms energy: -209.543472
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -44.067
flat angles C4'-P-C4' energy: -46.256
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -56.822
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: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -558.668818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.668818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.668818 (E_RNA)
where:
Base-Base interactions energy: -353.241
where: short stacking energy: -153.596
Base-Backbone interact. energy: 0.460
local terms energy: -205.887623
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -42.266
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -32.983
tors. eta vs tors. theta energy: -45.875
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: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -540.996524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.996524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.996524 (E_RNA)
where:
Base-Base interactions energy: -368.030
where: short stacking energy: -162.402
Base-Backbone interact. energy: -0.406
local terms energy: -172.560637
where:
bonds (distance) C4'-P energy: -38.022
bonds (distance) P-C4' energy: -42.652
flat angles C4'-P-C4' energy: -36.825
flat angles P-C4'-P energy: -26.673
tors. eta vs tors. theta energy: -28.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -325.490047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.490047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.490047 (E_RNA)
where:
Base-Base interactions energy: -180.891
where: short stacking energy: -101.012
Base-Backbone interact. energy: -1.053
local terms energy: -143.546670
where:
bonds (distance) C4'-P energy: -47.713
bonds (distance) P-C4' energy: -37.900
flat angles C4'-P-C4' energy: -35.002
flat angles P-C4'-P energy: -21.721
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -223.094635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.094635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.094635 (E_RNA)
where:
Base-Base interactions energy: -74.755
where: short stacking energy: -74.690
Base-Backbone interact. energy: -1.463
local terms energy: -146.876658
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -48.088
flat angles C4'-P-C4' energy: -46.319
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -215.015394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.015394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.015394 (E_RNA)
where:
Base-Base interactions energy: -93.336
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.830
local terms energy: -120.849022
where:
bonds (distance) C4'-P energy: -38.205
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: 3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -862.688398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.688398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.688398 (E_RNA)
where:
Base-Base interactions energy: -600.720
where: short stacking energy: -238.452
Base-Backbone interact. energy: -0.649
local terms energy: -261.318892
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -45.992
flat angles C4'-P-C4' energy: -51.090
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -76.606
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: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -808.724876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.724876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.724876 (E_RNA)
where:
Base-Base interactions energy: -561.827
where: short stacking energy: -232.643
Base-Backbone interact. energy: -1.893
local terms energy: -245.004794
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -48.386
flat angles P-C4'-P energy: -27.885
tors. eta vs tors. theta energy: -75.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -768.872191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.872191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.872191 (E_RNA)
where:
Base-Base interactions energy: -540.617
where: short stacking energy: -243.324
Base-Backbone interact. energy: -1.079
local terms energy: -227.176401
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -36.350
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -32.850
tors. eta vs tors. theta energy: -64.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -701.828211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.828211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.828211 (E_RNA)
where:
Base-Base interactions energy: -489.643
where: short stacking energy: -194.693
Base-Backbone interact. energy: -1.113
local terms energy: -211.072395
where:
bonds (distance) C4'-P energy: -38.481
bonds (distance) P-C4' energy: -47.912
flat angles C4'-P-C4' energy: -44.149
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -48.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -673.210773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.210773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.210773 (E_RNA)
where:
Base-Base interactions energy: -458.797
where: short stacking energy: -187.477
Base-Backbone interact. energy: 1.024
local terms energy: -215.437597
where:
bonds (distance) C4'-P energy: -50.358
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -52.171
flat angles P-C4'-P energy: -32.598
tors. eta vs tors. theta energy: -45.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -563.638946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.638946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.638946 (E_RNA)
where:
Base-Base interactions energy: -367.663
where: short stacking energy: -159.890
Base-Backbone interact. energy: 0.729
local terms energy: -196.704645
where:
bonds (distance) C4'-P energy: -39.054
bonds (distance) P-C4' energy: -42.278
flat angles C4'-P-C4' energy: -40.380
flat angles P-C4'-P energy: -30.774
tors. eta vs tors. theta energy: -44.218
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: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -571.541631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.541631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.541631 (E_RNA)
where:
Base-Base interactions energy: -383.301
where: short stacking energy: -174.848
Base-Backbone interact. energy: -0.302
local terms energy: -187.938565
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -29.701
flat angles C4'-P-C4' energy: -44.073
flat angles P-C4'-P energy: -31.062
tors. eta vs tors. theta energy: -48.034
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: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -324.066256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.066256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.066256 (E_RNA)
where:
Base-Base interactions energy: -174.141
where: short stacking energy: -106.237
Base-Backbone interact. energy: -1.058
local terms energy: -148.867372
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -40.555
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -207.098280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.098280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.098280 (E_RNA)
where:
Base-Base interactions energy: -72.830
where: short stacking energy: -63.824
Base-Backbone interact. energy: 0.990
local terms energy: -135.258428
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -40.991
flat angles C4'-P-C4' energy: -42.711
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -205.316134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.316134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.316134 (E_RNA)
where:
Base-Base interactions energy: -88.528
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.021
local terms energy: -116.766642
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -31.668
flat angles C4'-P-C4' energy: -36.681
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: 2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -871.867737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.867737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.867737 (E_RNA)
where:
Base-Base interactions energy: -601.245
where: short stacking energy: -266.079
Base-Backbone interact. energy: -2.135
local terms energy: -268.487838
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -49.584
flat angles C4'-P-C4' energy: -48.517
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -76.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -814.963803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.963803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.963803 (E_RNA)
where:
Base-Base interactions energy: -574.216
where: short stacking energy: -250.816
Base-Backbone interact. energy: 1.412
local terms energy: -242.160662
where:
bonds (distance) C4'-P energy: -44.575
bonds (distance) P-C4' energy: -40.061
flat angles C4'-P-C4' energy: -48.218
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -74.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -760.231629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.231629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.231629 (E_RNA)
where:
Base-Base interactions energy: -521.118
where: short stacking energy: -217.192
Base-Backbone interact. energy: -2.063
local terms energy: -237.050092
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -48.104
flat angles C4'-P-C4' energy: -54.041
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -53.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -714.195525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.195525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.195525 (E_RNA)
where:
Base-Base interactions energy: -491.050
where: short stacking energy: -204.933
Base-Backbone interact. energy: 1.912
local terms energy: -225.057498
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -44.834
flat angles C4'-P-C4' energy: -39.085
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -63.387
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: 157
Temperature: 1.100000
Total energy: -692.659966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.659966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.659966 (E_RNA)
where:
Base-Base interactions energy: -468.928
where: short stacking energy: -201.556
Base-Backbone interact. energy: 0.659
local terms energy: -224.391414
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -46.673
flat angles C4'-P-C4' energy: -45.232
flat angles P-C4'-P energy: -31.661
tors. eta vs tors. theta energy: -61.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -655.306711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.306711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.306711 (E_RNA)
where:
Base-Base interactions energy: -465.338
where: short stacking energy: -188.963
Base-Backbone interact. energy: -0.254
local terms energy: -189.715007
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -42.348
flat angles C4'-P-C4' energy: -51.926
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -38.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -522.493043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.493043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.493043 (E_RNA)
where:
Base-Base interactions energy: -341.007
where: short stacking energy: -146.781
Base-Backbone interact. energy: 1.083
local terms energy: -182.569191
where:
bonds (distance) C4'-P energy: -45.629
bonds (distance) P-C4' energy: -41.664
flat angles C4'-P-C4' energy: -39.174
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -34.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -357.193380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.193380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.193380 (E_RNA)
where:
Base-Base interactions energy: -195.300
where: short stacking energy: -120.786
Base-Backbone interact. energy: -0.217
local terms energy: -161.676712
where:
bonds (distance) C4'-P energy: -37.251
bonds (distance) P-C4' energy: -40.342
flat angles C4'-P-C4' energy: -36.951
flat angles P-C4'-P energy: -23.289
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: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -224.193283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.193283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.193283 (E_RNA)
where:
Base-Base interactions energy: -85.763
where: short stacking energy: -73.929
Base-Backbone interact. energy: -0.573
local terms energy: -137.857324
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -39.549
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -235.174119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.174119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.174119 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -73.810
Base-Backbone interact. energy: -0.648
local terms energy: -126.160678
where:
bonds (distance) C4'-P energy: -40.513
bonds (distance) P-C4' energy: -41.818
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: 5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -859.611333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.611333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.611333 (E_RNA)
where:
Base-Base interactions energy: -604.974
where: short stacking energy: -260.251
Base-Backbone interact. energy: -0.156
local terms energy: -254.481652
where:
bonds (distance) C4'-P energy: -44.003
bonds (distance) P-C4' energy: -41.673
flat angles C4'-P-C4' energy: -50.903
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -77.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -798.445064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.445064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.445064 (E_RNA)
where:
Base-Base interactions energy: -556.424
where: short stacking energy: -240.223
Base-Backbone interact. energy: -1.496
local terms energy: -240.524738
where:
bonds (distance) C4'-P energy: -40.832
bonds (distance) P-C4' energy: -47.851
flat angles C4'-P-C4' energy: -46.491
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -74.307
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: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -757.449985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.449985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.449985 (E_RNA)
where:
Base-Base interactions energy: -521.246
where: short stacking energy: -214.894
Base-Backbone interact. energy: -0.591
local terms energy: -235.612454
where:
bonds (distance) C4'-P energy: -48.343
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -33.906
tors. eta vs tors. theta energy: -55.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -714.177934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.177934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.177934 (E_RNA)
where:
Base-Base interactions energy: -480.626
where: short stacking energy: -225.773
Base-Backbone interact. energy: 0.586
local terms energy: -234.138406
where:
bonds (distance) C4'-P energy: -45.519
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -65.623
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: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -704.587241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.587241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.587241 (E_RNA)
where:
Base-Base interactions energy: -472.617
where: short stacking energy: -207.144
Base-Backbone interact. energy: -0.988
local terms energy: -230.982240
where:
bonds (distance) C4'-P energy: -42.688
bonds (distance) P-C4' energy: -43.264
flat angles C4'-P-C4' energy: -55.410
flat angles P-C4'-P energy: -30.215
tors. eta vs tors. theta energy: -59.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -658.443461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.443461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.443461 (E_RNA)
where:
Base-Base interactions energy: -461.368
where: short stacking energy: -189.328
Base-Backbone interact. energy: 4.111
local terms energy: -201.186224
where:
bonds (distance) C4'-P energy: -40.669
bonds (distance) P-C4' energy: -41.371
flat angles C4'-P-C4' energy: -37.454
flat angles P-C4'-P energy: -34.369
tors. eta vs tors. theta energy: -47.323
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: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -480.650980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.650980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.650980 (E_RNA)
where:
Base-Base interactions energy: -316.387
where: short stacking energy: -151.443
Base-Backbone interact. energy: -1.041
local terms energy: -163.223735
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -348.131622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.131622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.131622 (E_RNA)
where:
Base-Base interactions energy: -180.633
where: short stacking energy: -99.206
Base-Backbone interact. energy: 0.730
local terms energy: -168.229304
where:
bonds (distance) C4'-P energy: -39.975
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -45.605
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -205.277053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.277053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.277053 (E_RNA)
where:
Base-Base interactions energy: -61.163
where: short stacking energy: -52.753
Base-Backbone interact. energy: -0.356
local terms energy: -143.757657
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -42.479
flat angles C4'-P-C4' energy: -36.335
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -206.714548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.714548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.714548 (E_RNA)
where:
Base-Base interactions energy: -80.472
where: short stacking energy: -64.122
Base-Backbone interact. energy: -1.574
local terms energy: -124.669013
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -37.378
flat angles C4'-P-C4' energy: -41.403
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -875.420374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.420374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.420374 (E_RNA)
where:
Base-Base interactions energy: -613.540
where: short stacking energy: -256.211
Base-Backbone interact. energy: -1.195
local terms energy: -260.685289
where:
bonds (distance) C4'-P energy: -50.102
bonds (distance) P-C4' energy: -50.011
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -80.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -769.557390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.557390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.557390 (E_RNA)
where:
Base-Base interactions energy: -545.387
where: short stacking energy: -224.442
Base-Backbone interact. energy: -0.274
local terms energy: -223.896394
where:
bonds (distance) C4'-P energy: -42.000
bonds (distance) P-C4' energy: -47.131
flat angles C4'-P-C4' energy: -46.451
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: -55.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -777.114403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.114403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.114403 (E_RNA)
where:
Base-Base interactions energy: -542.949
where: short stacking energy: -230.018
Base-Backbone interact. energy: -2.504
local terms energy: -231.661552
where:
bonds (distance) C4'-P energy: -46.473
bonds (distance) P-C4' energy: -44.638
flat angles C4'-P-C4' energy: -46.689
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -70.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -733.210249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.210249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.210249 (E_RNA)
where:
Base-Base interactions energy: -502.167
where: short stacking energy: -202.268
Base-Backbone interact. energy: -0.199
local terms energy: -230.844043
where:
bonds (distance) C4'-P energy: -49.047
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -52.212
flat angles P-C4'-P energy: -35.802
tors. eta vs tors. theta energy: -57.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -693.542615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.542615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.542615 (E_RNA)
where:
Base-Base interactions energy: -477.290
where: short stacking energy: -202.087
Base-Backbone interact. energy: -0.914
local terms energy: -215.338487
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -28.141
tors. eta vs tors. theta energy: -59.596
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -666.980783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.980783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.980783 (E_RNA)
where:
Base-Base interactions energy: -462.041
where: short stacking energy: -194.492
Base-Backbone interact. energy: -0.117
local terms energy: -204.823376
where:
bonds (distance) C4'-P energy: -40.718
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -26.164
tors. eta vs tors. theta energy: -56.507
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: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -483.186313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.186313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.186313 (E_RNA)
where:
Base-Base interactions energy: -303.851
where: short stacking energy: -136.423
Base-Backbone interact. energy: -0.080
local terms energy: -179.255151
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -42.428
flat angles C4'-P-C4' energy: -44.618
flat angles P-C4'-P energy: -28.753
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -337.738216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.738216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.738216 (E_RNA)
where:
Base-Base interactions energy: -183.648
where: short stacking energy: -106.262
Base-Backbone interact. energy: -0.875
local terms energy: -153.215013
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -42.626
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -210.963961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.963961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.963961 (E_RNA)
where:
Base-Base interactions energy: -70.333
where: short stacking energy: -56.683
Base-Backbone interact. energy: -0.099
local terms energy: -140.531893
where:
bonds (distance) C4'-P energy: -33.981
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -24.987
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: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -203.968079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.968079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.968079 (E_RNA)
where:
Base-Base interactions energy: -79.254
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.181
local terms energy: -124.532552
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -38.792
flat angles C4'-P-C4' energy: -35.523
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -869.368327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.368327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.368327 (E_RNA)
where:
Base-Base interactions energy: -615.492
where: short stacking energy: -267.364
Base-Backbone interact. energy: -0.159
local terms energy: -253.717651
where:
bonds (distance) C4'-P energy: -43.675
bonds (distance) P-C4' energy: -42.816
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -34.997
tors. eta vs tors. theta energy: -75.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -782.297190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.297190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.297190 (E_RNA)
where:
Base-Base interactions energy: -545.246
where: short stacking energy: -235.588
Base-Backbone interact. energy: -0.448
local terms energy: -236.602611
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -48.287
flat angles C4'-P-C4' energy: -46.399
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: -55.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -773.502453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.502453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.502453 (E_RNA)
where:
Base-Base interactions energy: -531.684
where: short stacking energy: -229.358
Base-Backbone interact. energy: -0.987
local terms energy: -240.830757
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -41.702
flat angles C4'-P-C4' energy: -53.020
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: -73.106
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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -739.107547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.107547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.107547 (E_RNA)
where:
Base-Base interactions energy: -513.832
where: short stacking energy: -221.209
Base-Backbone interact. energy: 0.888
local terms energy: -226.163309
where:
bonds (distance) C4'-P energy: -38.082
bonds (distance) P-C4' energy: -47.763
flat angles C4'-P-C4' energy: -52.218
flat angles P-C4'-P energy: -32.189
tors. eta vs tors. theta energy: -55.911
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: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -677.290086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.290086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.290086 (E_RNA)
where:
Base-Base interactions energy: -460.858
where: short stacking energy: -188.340
Base-Backbone interact. energy: -0.531
local terms energy: -215.900586
where:
bonds (distance) C4'-P energy: -40.353
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -54.307
flat angles P-C4'-P energy: -28.862
tors. eta vs tors. theta energy: -50.401
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: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -678.554206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.554206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.554206 (E_RNA)
where:
Base-Base interactions energy: -458.643
where: short stacking energy: -193.579
Base-Backbone interact. energy: 0.580
local terms energy: -220.491359
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -47.088
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -52.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -466.140851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.140851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.140851 (E_RNA)
where:
Base-Base interactions energy: -294.935
where: short stacking energy: -140.505
Base-Backbone interact. energy: -0.732
local terms energy: -170.473599
where:
bonds (distance) C4'-P energy: -31.281
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -32.812
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: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -373.729976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.729976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.729976 (E_RNA)
where:
Base-Base interactions energy: -204.606
where: short stacking energy: -120.366
Base-Backbone interact. energy: -0.134
local terms energy: -168.990475
where:
bonds (distance) C4'-P energy: -38.779
bonds (distance) P-C4' energy: -46.147
flat angles C4'-P-C4' energy: -34.646
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -21.265
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: 160
Temperature: 1.300000
Total energy: -228.329928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.329928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.329928 (E_RNA)
where:
Base-Base interactions energy: -79.501
where: short stacking energy: -63.760
Base-Backbone interact. energy: 2.384
local terms energy: -151.212502
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -43.821
flat angles C4'-P-C4' energy: -38.467
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: 11.038
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: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -219.231429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.231429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.231429 (E_RNA)
where:
Base-Base interactions energy: -94.896
where: short stacking energy: -55.962
Base-Backbone interact. energy: 0.031
local terms energy: -124.366654
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -36.404
flat angles P-C4'-P energy: -20.607
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: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -869.158796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.158796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.158796 (E_RNA)
where:
Base-Base interactions energy: -607.057
where: short stacking energy: -261.857
Base-Backbone interact. energy: -0.056
local terms energy: -262.045886
where:
bonds (distance) C4'-P energy: -34.276
bonds (distance) P-C4' energy: -51.543
flat angles C4'-P-C4' energy: -53.699
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -82.482
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: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -789.968354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.968354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.968354 (E_RNA)
where:
Base-Base interactions energy: -557.924
where: short stacking energy: -239.249
Base-Backbone interact. energy: -0.617
local terms energy: -231.426860
where:
bonds (distance) C4'-P energy: -41.905
bonds (distance) P-C4' energy: -44.051
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -29.401
tors. eta vs tors. theta energy: -63.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -745.295366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.295366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.295366 (E_RNA)
where:
Base-Base interactions energy: -520.402
where: short stacking energy: -229.015
Base-Backbone interact. energy: -2.530
local terms energy: -222.363403
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -34.426
flat angles C4'-P-C4' energy: -44.449
flat angles P-C4'-P energy: -31.217
tors. eta vs tors. theta energy: -72.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -736.768811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.768811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.768811 (E_RNA)
where:
Base-Base interactions energy: -510.646
where: short stacking energy: -221.542
Base-Backbone interact. energy: -0.621
local terms energy: -225.501628
where:
bonds (distance) C4'-P energy: -40.425
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -50.543
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -60.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -679.724497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.724497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.724497 (E_RNA)
where:
Base-Base interactions energy: -466.772
where: short stacking energy: -193.110
Base-Backbone interact. energy: -0.939
local terms energy: -212.013118
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -47.478
flat angles C4'-P-C4' energy: -47.328
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -55.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -660.197224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.197224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.197224 (E_RNA)
where:
Base-Base interactions energy: -442.624
where: short stacking energy: -192.445
Base-Backbone interact. energy: -0.200
local terms energy: -217.372977
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -41.755
flat angles C4'-P-C4' energy: -51.204
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -56.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -473.999903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.999903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.999903 (E_RNA)
where:
Base-Base interactions energy: -294.503
where: short stacking energy: -133.892
Base-Backbone interact. energy: -1.416
local terms energy: -178.080997
where:
bonds (distance) C4'-P energy: -42.930
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -44.028
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -31.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -446.089100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.089100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.089100 (E_RNA)
where:
Base-Base interactions energy: -264.050
where: short stacking energy: -137.866
Base-Backbone interact. energy: -1.371
local terms energy: -180.668202
where:
bonds (distance) C4'-P energy: -42.396
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -37.837
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -32.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -225.803453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.803453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803453 (E_RNA)
where:
Base-Base interactions energy: -69.654
where: short stacking energy: -61.228
Base-Backbone interact. energy: 0.943
local terms energy: -157.092251
where:
bonds (distance) C4'-P energy: -46.441
bonds (distance) P-C4' energy: -43.461
flat angles C4'-P-C4' energy: -38.943
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -208.163573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.163573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.163573 (E_RNA)
where:
Base-Base interactions energy: -82.610
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.598
local terms energy: -124.956155
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -41.319
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: 10.062
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: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -863.793060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.793060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.793060 (E_RNA)
where:
Base-Base interactions energy: -605.293
where: short stacking energy: -270.295
Base-Backbone interact. energy: -0.102
local terms energy: -258.398259
where:
bonds (distance) C4'-P energy: -38.708
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -52.026
flat angles P-C4'-P energy: -42.074
tors. eta vs tors. theta energy: -76.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -766.087213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.087213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.087213 (E_RNA)
where:
Base-Base interactions energy: -539.077
where: short stacking energy: -217.681
Base-Backbone interact. energy: 0.922
local terms energy: -227.932441
where:
bonds (distance) C4'-P energy: -46.516
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -35.070
tors. eta vs tors. theta energy: -55.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -772.022289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.022289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.022289 (E_RNA)
where:
Base-Base interactions energy: -544.644
where: short stacking energy: -230.367
Base-Backbone interact. energy: -0.269
local terms energy: -227.109081
where:
bonds (distance) C4'-P energy: -37.692
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -44.895
flat angles P-C4'-P energy: -32.781
tors. eta vs tors. theta energy: -68.622
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: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -744.649867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.649867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.649867 (E_RNA)
where:
Base-Base interactions energy: -508.274
where: short stacking energy: -220.712
Base-Backbone interact. energy: -0.148
local terms energy: -236.228123
where:
bonds (distance) C4'-P energy: -41.321
bonds (distance) P-C4' energy: -47.126
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -32.752
tors. eta vs tors. theta energy: -66.216
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: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -737.972212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.972212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.972212 (E_RNA)
where:
Base-Base interactions energy: -513.692
where: short stacking energy: -200.734
Base-Backbone interact. energy: -0.911
local terms energy: -223.368500
where:
bonds (distance) C4'-P energy: -44.964
bonds (distance) P-C4' energy: -36.498
flat angles C4'-P-C4' energy: -48.694
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -55.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -661.200331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.200331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.200331 (E_RNA)
where:
Base-Base interactions energy: -458.857
where: short stacking energy: -196.575
Base-Backbone interact. energy: 0.093
local terms energy: -202.435842
where:
bonds (distance) C4'-P energy: -27.210
bonds (distance) P-C4' energy: -54.330
flat angles C4'-P-C4' energy: -40.207
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -55.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -489.451146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.451146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.451146 (E_RNA)
where:
Base-Base interactions energy: -316.248
where: short stacking energy: -154.514
Base-Backbone interact. energy: 1.324
local terms energy: -174.526958
where:
bonds (distance) C4'-P energy: -34.272
bonds (distance) P-C4' energy: -40.926
flat angles C4'-P-C4' energy: -41.502
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -39.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -397.182969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.182969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.182969 (E_RNA)
where:
Base-Base interactions energy: -253.247
where: short stacking energy: -112.466
Base-Backbone interact. energy: -1.182
local terms energy: -142.754469
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -48.613
flat angles C4'-P-C4' energy: -33.233
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -10.066
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: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -218.159107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.159107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.159107 (E_RNA)
where:
Base-Base interactions energy: -75.309
where: short stacking energy: -65.027
Base-Backbone interact. energy: -1.529
local terms energy: -141.320529
where:
bonds (distance) C4'-P energy: -37.418
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -39.719
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -198.802376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.802376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.802376 (E_RNA)
where:
Base-Base interactions energy: -76.222
where: short stacking energy: -70.290
Base-Backbone interact. energy: -0.852
local terms energy: -121.727719
where:
bonds (distance) C4'-P energy: -35.143
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -35.984
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -863.121358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.121358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.121358 (E_RNA)
where:
Base-Base interactions energy: -602.274
where: short stacking energy: -255.145
Base-Backbone interact. energy: 0.504
local terms energy: -261.351397
where:
bonds (distance) C4'-P energy: -40.877
bonds (distance) P-C4' energy: -48.321
flat angles C4'-P-C4' energy: -55.207
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: -76.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -791.506845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.506845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.506845 (E_RNA)
where:
Base-Base interactions energy: -546.009
where: short stacking energy: -226.425
Base-Backbone interact. energy: -2.411
local terms energy: -243.086826
where:
bonds (distance) C4'-P energy: -49.686
bonds (distance) P-C4' energy: -41.647
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -31.111
tors. eta vs tors. theta energy: -63.516
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: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -756.233152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.233152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.233152 (E_RNA)
where:
Base-Base interactions energy: -526.112
where: short stacking energy: -229.320
Base-Backbone interact. energy: -0.630
local terms energy: -229.490684
where:
bonds (distance) C4'-P energy: -45.076
bonds (distance) P-C4' energy: -41.821
flat angles C4'-P-C4' energy: -50.154
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -62.296
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: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -762.765917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.765917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.765917 (E_RNA)
where:
Base-Base interactions energy: -519.740
where: short stacking energy: -226.709
Base-Backbone interact. energy: -0.762
local terms energy: -242.264233
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -64.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -718.826716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.826716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.826716 (E_RNA)
where:
Base-Base interactions energy: -502.206
where: short stacking energy: -194.622
Base-Backbone interact. energy: -1.476
local terms energy: -215.144697
where:
bonds (distance) C4'-P energy: -47.441
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -44.558
flat angles P-C4'-P energy: -34.732
tors. eta vs tors. theta energy: -50.289
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: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -636.620409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.620409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.620409 (E_RNA)
where:
Base-Base interactions energy: -428.541
where: short stacking energy: -173.567
Base-Backbone interact. energy: -0.462
local terms energy: -207.616776
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -35.849
flat angles C4'-P-C4' energy: -43.709
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -53.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -469.048457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.048457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.048457 (E_RNA)
where:
Base-Base interactions energy: -298.729
where: short stacking energy: -131.241
Base-Backbone interact. energy: 0.672
local terms energy: -170.991204
where:
bonds (distance) C4'-P energy: -45.955
bonds (distance) P-C4' energy: -40.189
flat angles C4'-P-C4' energy: -42.898
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -24.158
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: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -419.222980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.222980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.222980 (E_RNA)
where:
Base-Base interactions energy: -241.126
where: short stacking energy: -125.793
Base-Backbone interact. energy: -1.386
local terms energy: -176.710427
where:
bonds (distance) C4'-P energy: -46.959
bonds (distance) P-C4' energy: -45.752
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -220.380300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.380300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.380300 (E_RNA)
where:
Base-Base interactions energy: -76.212
where: short stacking energy: -77.181
Base-Backbone interact. energy: -0.775
local terms energy: -143.394110
where:
bonds (distance) C4'-P energy: -37.847
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -218.958247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.958247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.958247 (E_RNA)
where:
Base-Base interactions energy: -78.679
where: short stacking energy: -59.872
Base-Backbone interact. energy: -0.187
local terms energy: -140.092526
where:
bonds (distance) C4'-P energy: -41.057
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -37.560
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -5.270
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: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -865.348680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.348680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.348680 (E_RNA)
where:
Base-Base interactions energy: -606.798
where: short stacking energy: -260.670
Base-Backbone interact. energy: -0.047
local terms energy: -258.502943
where:
bonds (distance) C4'-P energy: -46.794
bonds (distance) P-C4' energy: -46.729
flat angles C4'-P-C4' energy: -57.159
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -73.505
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: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -791.242464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.242464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.242464 (E_RNA)
where:
Base-Base interactions energy: -549.289
where: short stacking energy: -230.748
Base-Backbone interact. energy: -1.662
local terms energy: -240.291682
where:
bonds (distance) C4'-P energy: -38.547
bonds (distance) P-C4' energy: -47.680
flat angles C4'-P-C4' energy: -53.522
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -65.998
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: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -746.896532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.896532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.896532 (E_RNA)
where:
Base-Base interactions energy: -516.587
where: short stacking energy: -213.937
Base-Backbone interact. energy: -0.234
local terms energy: -230.075330
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -59.525
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: 164
Temperature: 1.050000
Total energy: -755.912693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.912693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.912693 (E_RNA)
where:
Base-Base interactions energy: -541.941
where: short stacking energy: -214.149
Base-Backbone interact. energy: -0.492
local terms energy: -213.479729
where:
bonds (distance) C4'-P energy: -41.772
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: -55.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -671.707965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.707965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.707965 (E_RNA)
where:
Base-Base interactions energy: -445.921
where: short stacking energy: -212.752
Base-Backbone interact. energy: -0.444
local terms energy: -225.343599
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -39.362
flat angles C4'-P-C4' energy: -51.528
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: -61.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -721.309364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.309364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.309364 (E_RNA)
where:
Base-Base interactions energy: -509.530
where: short stacking energy: -207.421
Base-Backbone interact. energy: -1.549
local terms energy: -210.230519
where:
bonds (distance) C4'-P energy: -46.648
bonds (distance) P-C4' energy: -39.557
flat angles C4'-P-C4' energy: -41.359
flat angles P-C4'-P energy: -24.586
tors. eta vs tors. theta energy: -58.081
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: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -468.993695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.993695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.993695 (E_RNA)
where:
Base-Base interactions energy: -281.353
where: short stacking energy: -137.639
Base-Backbone interact. energy: -0.097
local terms energy: -187.544008
where:
bonds (distance) C4'-P energy: -42.227
bonds (distance) P-C4' energy: -42.462
flat angles C4'-P-C4' energy: -47.146
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -30.427
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: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -469.310788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.310788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.310788 (E_RNA)
where:
Base-Base interactions energy: -287.660
where: short stacking energy: -123.592
Base-Backbone interact. energy: 0.345
local terms energy: -181.995735
where:
bonds (distance) C4'-P energy: -40.200
bonds (distance) P-C4' energy: -45.644
flat angles C4'-P-C4' energy: -40.760
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -218.372364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.372364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.372364 (E_RNA)
where:
Base-Base interactions energy: -85.011
where: short stacking energy: -72.020
Base-Backbone interact. energy: 0.780
local terms energy: -134.141989
where:
bonds (distance) C4'-P energy: -42.750
bonds (distance) P-C4' energy: -40.739
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: 1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -229.544710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.544710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.544710 (E_RNA)
where:
Base-Base interactions energy: -80.420
where: short stacking energy: -72.973
Base-Backbone interact. energy: -0.654
local terms energy: -148.470654
where:
bonds (distance) C4'-P energy: -38.068
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -39.963
flat angles P-C4'-P energy: -16.012
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: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -859.746108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.746108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.746108 (E_RNA)
where:
Base-Base interactions energy: -609.963
where: short stacking energy: -252.857
Base-Backbone interact. energy: -0.112
local terms energy: -249.671128
where:
bonds (distance) C4'-P energy: -41.210
bonds (distance) P-C4' energy: -48.415
flat angles C4'-P-C4' energy: -52.280
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -74.556
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: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -800.804916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.804916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.804916 (E_RNA)
where:
Base-Base interactions energy: -544.927
where: short stacking energy: -208.821
Base-Backbone interact. energy: -1.987
local terms energy: -253.891326
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -49.567
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -30.048
tors. eta vs tors. theta energy: -64.898
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: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -774.122062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.122062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.122062 (E_RNA)
where:
Base-Base interactions energy: -535.666
where: short stacking energy: -226.295
Base-Backbone interact. energy: -0.231
local terms energy: -238.224825
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -51.857
flat angles P-C4'-P energy: -34.216
tors. eta vs tors. theta energy: -65.903
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: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -774.770833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.770833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.770833 (E_RNA)
where:
Base-Base interactions energy: -557.162
where: short stacking energy: -224.482
Base-Backbone interact. energy: -1.540
local terms energy: -216.069559
where:
bonds (distance) C4'-P energy: -33.159
bonds (distance) P-C4' energy: -45.360
flat angles C4'-P-C4' energy: -45.908
flat angles P-C4'-P energy: -33.308
tors. eta vs tors. theta energy: -58.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -661.947421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.947421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.947421 (E_RNA)
where:
Base-Base interactions energy: -463.687
where: short stacking energy: -205.855
Base-Backbone interact. energy: -0.782
local terms energy: -197.478650
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -41.301
flat angles C4'-P-C4' energy: -38.326
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: -56.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -737.809167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.809167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.809167 (E_RNA)
where:
Base-Base interactions energy: -514.482
where: short stacking energy: -213.917
Base-Backbone interact. energy: -1.111
local terms energy: -222.216071
where:
bonds (distance) C4'-P energy: -36.147
bonds (distance) P-C4' energy: -47.251
flat angles C4'-P-C4' energy: -52.160
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -57.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -511.176959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.176959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.176959 (E_RNA)
where:
Base-Base interactions energy: -331.657
where: short stacking energy: -156.179
Base-Backbone interact. energy: 0.914
local terms energy: -180.434287
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -46.012
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -35.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -435.630132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.630132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.630132 (E_RNA)
where:
Base-Base interactions energy: -281.262
where: short stacking energy: -134.636
Base-Backbone interact. energy: -1.913
local terms energy: -152.454905
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -38.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -207.017501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.017501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.017501 (E_RNA)
where:
Base-Base interactions energy: -77.337
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.152
local terms energy: -129.528230
where:
bonds (distance) C4'-P energy: -42.488
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: 6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -204.191010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.191010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.191010 (E_RNA)
where:
Base-Base interactions energy: -78.375
where: short stacking energy: -68.837
Base-Backbone interact. energy: 0.233
local terms energy: -126.049279
where:
bonds (distance) C4'-P energy: -32.670
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -19.003
tors. eta vs tors. theta energy: -5.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -871.417256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.417256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.417256 (E_RNA)
where:
Base-Base interactions energy: -615.524
where: short stacking energy: -263.883
Base-Backbone interact. energy: 1.178
local terms energy: -257.070654
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -46.784
flat angles C4'-P-C4' energy: -50.106
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -83.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -790.963497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.963497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.963497 (E_RNA)
where:
Base-Base interactions energy: -548.351
where: short stacking energy: -217.663
Base-Backbone interact. energy: 0.133
local terms energy: -242.746178
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -49.627
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -73.245
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: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -772.659952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.659952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.659952 (E_RNA)
where:
Base-Base interactions energy: -528.706
where: short stacking energy: -214.951
Base-Backbone interact. energy: -0.587
local terms energy: -243.366671
where:
bonds (distance) C4'-P energy: -49.020
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -60.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -746.292200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.292200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.292200 (E_RNA)
where:
Base-Base interactions energy: -522.363
where: short stacking energy: -203.007
Base-Backbone interact. energy: 0.305
local terms energy: -224.233837
where:
bonds (distance) C4'-P energy: -43.754
bonds (distance) P-C4' energy: -38.797
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -60.087
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: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -737.699722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.699722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.699722 (E_RNA)
where:
Base-Base interactions energy: -528.669
where: short stacking energy: -213.470
Base-Backbone interact. energy: 0.391
local terms energy: -209.421892
where:
bonds (distance) C4'-P energy: -39.157
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -45.315
flat angles P-C4'-P energy: -30.594
tors. eta vs tors. theta energy: -60.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -664.765279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.765279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.765279 (E_RNA)
where:
Base-Base interactions energy: -439.540
where: short stacking energy: -184.226
Base-Backbone interact. energy: -0.177
local terms energy: -225.048493
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -44.720
flat angles P-C4'-P energy: -32.056
tors. eta vs tors. theta energy: -55.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -482.950079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.950079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.950079 (E_RNA)
where:
Base-Base interactions energy: -292.086
where: short stacking energy: -134.878
Base-Backbone interact. energy: -1.612
local terms energy: -189.251903
where:
bonds (distance) C4'-P energy: -39.779
bonds (distance) P-C4' energy: -43.549
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: -31.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -497.882595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.882595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.882595 (E_RNA)
where:
Base-Base interactions energy: -311.395
where: short stacking energy: -147.504
Base-Backbone interact. energy: -0.428
local terms energy: -186.058978
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -42.430
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -43.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -203.889635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.889635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.889635 (E_RNA)
where:
Base-Base interactions energy: -80.801
where: short stacking energy: -59.054
Base-Backbone interact. energy: 0.115
local terms energy: -123.203248
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -36.365
flat angles P-C4'-P energy: -16.123
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: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -212.845459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.845459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.845459 (E_RNA)
where:
Base-Base interactions energy: -83.904
where: short stacking energy: -75.440
Base-Backbone interact. energy: 0.527
local terms energy: -129.468943
where:
bonds (distance) C4'-P energy: -43.695
bonds (distance) P-C4' energy: -31.087
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -859.272819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.272819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.272819 (E_RNA)
where:
Base-Base interactions energy: -609.909
where: short stacking energy: -256.793
Base-Backbone interact. energy: -0.439
local terms energy: -248.925373
where:
bonds (distance) C4'-P energy: -44.062
bonds (distance) P-C4' energy: -35.837
flat angles C4'-P-C4' energy: -51.780
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -76.280
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: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -787.367824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.367824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.367824 (E_RNA)
where:
Base-Base interactions energy: -553.685
where: short stacking energy: -237.937
Base-Backbone interact. energy: -1.724
local terms energy: -231.959452
where:
bonds (distance) C4'-P energy: -39.694
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -30.533
tors. eta vs tors. theta energy: -71.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -785.013830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.013830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.013830 (E_RNA)
where:
Base-Base interactions energy: -552.713
where: short stacking energy: -224.944
Base-Backbone interact. energy: -1.028
local terms energy: -231.272586
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -51.064
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: -53.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -748.400999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.400999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.400999 (E_RNA)
where:
Base-Base interactions energy: -517.435
where: short stacking energy: -211.866
Base-Backbone interact. energy: -0.691
local terms energy: -230.274811
where:
bonds (distance) C4'-P energy: -37.729
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -49.907
flat angles P-C4'-P energy: -29.798
tors. eta vs tors. theta energy: -65.150
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: 167
Temperature: 1.100000
Total energy: -715.823590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.823590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.823590 (E_RNA)
where:
Base-Base interactions energy: -517.954
where: short stacking energy: -207.536
Base-Backbone interact. energy: -0.419
local terms energy: -197.451137
where:
bonds (distance) C4'-P energy: -34.688
bonds (distance) P-C4' energy: -37.272
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -52.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -674.509496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.509496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.509496 (E_RNA)
where:
Base-Base interactions energy: -461.607
where: short stacking energy: -186.761
Base-Backbone interact. energy: -0.737
local terms energy: -212.165038
where:
bonds (distance) C4'-P energy: -45.585
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -23.338
tors. eta vs tors. theta energy: -48.651
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: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -471.588085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.588085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.588085 (E_RNA)
where:
Base-Base interactions energy: -276.124
where: short stacking energy: -128.719
Base-Backbone interact. energy: -1.789
local terms energy: -193.675330
where:
bonds (distance) C4'-P energy: -44.079
bonds (distance) P-C4' energy: -37.294
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -30.310
tors. eta vs tors. theta energy: -40.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -498.882947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.882947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.882947 (E_RNA)
where:
Base-Base interactions energy: -308.710
where: short stacking energy: -159.781
Base-Backbone interact. energy: -0.546
local terms energy: -189.626802
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -34.940
flat angles C4'-P-C4' energy: -43.885
flat angles P-C4'-P energy: -27.815
tors. eta vs tors. theta energy: -44.100
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: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -213.201133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.201133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.201133 (E_RNA)
where:
Base-Base interactions energy: -81.047
where: short stacking energy: -58.650
Base-Backbone interact. energy: -1.054
local terms energy: -131.100046
where:
bonds (distance) C4'-P energy: -37.089
bonds (distance) P-C4' energy: -46.454
flat angles C4'-P-C4' energy: -41.290
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: 8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -208.336752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.336752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.336752 (E_RNA)
where:
Base-Base interactions energy: -76.017
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.795
local terms energy: -131.525359
where:
bonds (distance) C4'-P energy: -40.737
bonds (distance) P-C4' energy: -41.423
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -861.466408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.466408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.466408 (E_RNA)
where:
Base-Base interactions energy: -604.197
where: short stacking energy: -267.929
Base-Backbone interact. energy: -0.470
local terms energy: -256.799129
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -55.166
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -76.666
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: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -802.759241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.759241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.759241 (E_RNA)
where:
Base-Base interactions energy: -560.769
where: short stacking energy: -244.383
Base-Backbone interact. energy: -1.807
local terms energy: -240.183494
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -50.828
flat angles C4'-P-C4' energy: -48.243
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -69.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -823.352061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.352061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.352061 (E_RNA)
where:
Base-Base interactions energy: -576.704
where: short stacking energy: -236.723
Base-Backbone interact. energy: -0.091
local terms energy: -246.556861
where:
bonds (distance) C4'-P energy: -48.839
bonds (distance) P-C4' energy: -41.633
flat angles C4'-P-C4' energy: -47.724
flat angles P-C4'-P energy: -39.147
tors. eta vs tors. theta energy: -69.215
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: 4, replica: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -752.198771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.198771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.198771 (E_RNA)
where:
Base-Base interactions energy: -539.110
where: short stacking energy: -209.760
Base-Backbone interact. energy: -0.289
local terms energy: -212.799642
where:
bonds (distance) C4'-P energy: -37.186
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -48.859
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -53.314
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: 168
Temperature: 1.100000
Total energy: -713.130398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.130398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.130398 (E_RNA)
where:
Base-Base interactions energy: -486.142
where: short stacking energy: -197.038
Base-Backbone interact. energy: -1.645
local terms energy: -225.344334
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -45.056
flat angles C4'-P-C4' energy: -42.552
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -57.934
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: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -682.700312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.700312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.700312 (E_RNA)
where:
Base-Base interactions energy: -468.238
where: short stacking energy: -187.884
Base-Backbone interact. energy: -1.532
local terms energy: -212.929850
where:
bonds (distance) C4'-P energy: -42.311
bonds (distance) P-C4' energy: -40.892
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -27.739
tors. eta vs tors. theta energy: -52.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -512.413322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.413322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.413322 (E_RNA)
where:
Base-Base interactions energy: -327.169
where: short stacking energy: -172.310
Base-Backbone interact. energy: -0.097
local terms energy: -185.146512
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -40.907
flat angles P-C4'-P energy: -19.241
tors. eta vs tors. theta energy: -46.584
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: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -397.528606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.528606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.528606 (E_RNA)
where:
Base-Base interactions energy: -243.241
where: short stacking energy: -111.470
Base-Backbone interact. energy: -0.672
local terms energy: -153.615218
where:
bonds (distance) C4'-P energy: -31.638
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -40.098
flat angles P-C4'-P energy: -24.679
tors. eta vs tors. theta energy: -20.811
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: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -215.248622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.248622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.248622 (E_RNA)
where:
Base-Base interactions energy: -71.728
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.699
local terms energy: -142.821534
where:
bonds (distance) C4'-P energy: -44.540
bonds (distance) P-C4' energy: -38.036
flat angles C4'-P-C4' energy: -40.592
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: 7.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -205.875558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.875558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.875558 (E_RNA)
where:
Base-Base interactions energy: -79.025
where: short stacking energy: -69.810
Base-Backbone interact. energy: 3.304
local terms energy: -130.154496
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -44.341
flat angles C4'-P-C4' energy: -33.456
flat angles P-C4'-P energy: -18.744
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -858.782898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.782898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.782898 (E_RNA)
where:
Base-Base interactions energy: -599.399
where: short stacking energy: -264.011
Base-Backbone interact. energy: -0.114
local terms energy: -259.270234
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -50.095
flat angles C4'-P-C4' energy: -49.062
flat angles P-C4'-P energy: -36.176
tors. eta vs tors. theta energy: -76.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -829.175807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.175807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.175807 (E_RNA)
where:
Base-Base interactions energy: -580.177
where: short stacking energy: -243.678
Base-Backbone interact. energy: -0.764
local terms energy: -248.235766
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -48.582
flat angles C4'-P-C4' energy: -46.693
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -70.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -796.508313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.508313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.508313 (E_RNA)
where:
Base-Base interactions energy: -567.348
where: short stacking energy: -244.613
Base-Backbone interact. energy: -1.663
local terms energy: -227.497330
where:
bonds (distance) C4'-P energy: -34.345
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -75.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -772.187241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.187241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.187241 (E_RNA)
where:
Base-Base interactions energy: -550.260
where: short stacking energy: -208.517
Base-Backbone interact. energy: 0.342
local terms energy: -222.268977
where:
bonds (distance) C4'-P energy: -34.356
bonds (distance) P-C4' energy: -42.878
flat angles C4'-P-C4' energy: -48.177
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -58.962
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: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -722.275090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.275090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.275090 (E_RNA)
where:
Base-Base interactions energy: -506.004
where: short stacking energy: -216.850
Base-Backbone interact. energy: -0.215
local terms energy: -216.056236
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -42.144
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -53.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -657.870271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.870271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.870271 (E_RNA)
where:
Base-Base interactions energy: -469.037
where: short stacking energy: -198.124
Base-Backbone interact. energy: 0.095
local terms energy: -188.928344
where:
bonds (distance) C4'-P energy: -27.218
bonds (distance) P-C4' energy: -42.437
flat angles C4'-P-C4' energy: -42.122
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -59.446
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: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -517.417488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.417488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.417488 (E_RNA)
where:
Base-Base interactions energy: -331.232
where: short stacking energy: -168.099
Base-Backbone interact. energy: 0.977
local terms energy: -187.162718
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -37.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -401.473402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.473402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.473402 (E_RNA)
where:
Base-Base interactions energy: -238.172
where: short stacking energy: -134.239
Base-Backbone interact. energy: 0.080
local terms energy: -163.382053
where:
bonds (distance) C4'-P energy: -34.945
bonds (distance) P-C4' energy: -42.681
flat angles C4'-P-C4' energy: -42.562
flat angles P-C4'-P energy: -23.184
tors. eta vs tors. theta energy: -20.010
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: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -221.896398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.896398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.896398 (E_RNA)
where:
Base-Base interactions energy: -66.613
where: short stacking energy: -62.465
Base-Backbone interact. energy: -1.332
local terms energy: -153.951547
where:
bonds (distance) C4'-P energy: -45.953
bonds (distance) P-C4' energy: -45.206
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: 4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -219.776923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.776923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.776923 (E_RNA)
where:
Base-Base interactions energy: -87.863
where: short stacking energy: -72.355
Base-Backbone interact. energy: -1.328
local terms energy: -130.585679
where:
bonds (distance) C4'-P energy: -31.560
bonds (distance) P-C4' energy: -37.351
flat angles C4'-P-C4' energy: -38.913
flat angles P-C4'-P energy: -19.924
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -861.461380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.461380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.461380 (E_RNA)
where:
Base-Base interactions energy: -598.992
where: short stacking energy: -247.057
Base-Backbone interact. energy: -0.319
local terms energy: -262.150772
where:
bonds (distance) C4'-P energy: -50.501
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -51.477
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -73.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -861.698222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.698222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.698222 (E_RNA)
where:
Base-Base interactions energy: -617.682
where: short stacking energy: -255.916
Base-Backbone interact. energy: -1.036
local terms energy: -242.980711
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -41.981
flat angles C4'-P-C4' energy: -49.387
flat angles P-C4'-P energy: -37.996
tors. eta vs tors. theta energy: -74.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -781.505771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.505771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.505771 (E_RNA)
where:
Base-Base interactions energy: -545.966
where: short stacking energy: -226.427
Base-Backbone interact. energy: -0.426
local terms energy: -235.113328
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -45.236
flat angles C4'-P-C4' energy: -48.493
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: -70.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -778.310296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.310296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.310296 (E_RNA)
where:
Base-Base interactions energy: -557.503
where: short stacking energy: -213.025
Base-Backbone interact. energy: 0.810
local terms energy: -221.617190
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -40.544
flat angles C4'-P-C4' energy: -45.149
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -60.158
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: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -702.752558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.752558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.752558 (E_RNA)
where:
Base-Base interactions energy: -483.728
where: short stacking energy: -206.106
Base-Backbone interact. energy: -0.375
local terms energy: -218.650132
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -41.829
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -59.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -655.121760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.121760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.121760 (E_RNA)
where:
Base-Base interactions energy: -457.959
where: short stacking energy: -194.787
Base-Backbone interact. energy: -0.449
local terms energy: -196.713867
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -41.275
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -52.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -509.293495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.293495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.293495 (E_RNA)
where:
Base-Base interactions energy: -324.426
where: short stacking energy: -148.400
Base-Backbone interact. energy: -0.137
local terms energy: -184.729799
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -42.090
flat angles C4'-P-C4' energy: -45.273
flat angles P-C4'-P energy: -24.280
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: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -402.487695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.487695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.487695 (E_RNA)
where:
Base-Base interactions energy: -232.793
where: short stacking energy: -105.329
Base-Backbone interact. energy: -1.218
local terms energy: -168.476485
where:
bonds (distance) C4'-P energy: -41.362
bonds (distance) P-C4' energy: -43.718
flat angles C4'-P-C4' energy: -39.971
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -227.327323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.327323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.327323 (E_RNA)
where:
Base-Base interactions energy: -91.816
where: short stacking energy: -85.862
Base-Backbone interact. energy: 2.717
local terms energy: -138.227945
where:
bonds (distance) C4'-P energy: -38.815
bonds (distance) P-C4' energy: -39.834
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -201.096960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.096960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.096960 (E_RNA)
where:
Base-Base interactions energy: -74.559
where: short stacking energy: -67.453
Base-Backbone interact. energy: -0.288
local terms energy: -126.249775
where:
bonds (distance) C4'-P energy: -37.283
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -19.882
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -885.708605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.708605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.708605 (E_RNA)
where:
Base-Base interactions energy: -611.555
where: short stacking energy: -261.620
Base-Backbone interact. energy: -0.781
local terms energy: -273.372877
where:
bonds (distance) C4'-P energy: -51.298
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -77.455
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: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -844.778064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.778064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.778064 (E_RNA)
where:
Base-Base interactions energy: -590.558
where: short stacking energy: -247.022
Base-Backbone interact. energy: -1.944
local terms energy: -252.276321
where:
bonds (distance) C4'-P energy: -40.931
bonds (distance) P-C4' energy: -52.377
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -70.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -782.346781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.346781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.346781 (E_RNA)
where:
Base-Base interactions energy: -550.830
where: short stacking energy: -231.665
Base-Backbone interact. energy: -1.031
local terms energy: -230.485521
where:
bonds (distance) C4'-P energy: -38.399
bonds (distance) P-C4' energy: -42.560
flat angles C4'-P-C4' energy: -51.709
flat angles P-C4'-P energy: -28.340
tors. eta vs tors. theta energy: -69.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -784.105186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.105186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.105186 (E_RNA)
where:
Base-Base interactions energy: -554.875
where: short stacking energy: -222.453
Base-Backbone interact. energy: -0.288
local terms energy: -228.942453
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -47.682
flat angles C4'-P-C4' energy: -50.481
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -59.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -691.114208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.114208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.114208 (E_RNA)
where:
Base-Base interactions energy: -456.681
where: short stacking energy: -211.859
Base-Backbone interact. energy: -0.154
local terms energy: -234.278480
where:
bonds (distance) C4'-P energy: -48.447
bonds (distance) P-C4' energy: -44.608
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -61.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -665.047720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.047720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.047720 (E_RNA)
where:
Base-Base interactions energy: -464.695
where: short stacking energy: -211.020
Base-Backbone interact. energy: -0.274
local terms energy: -200.078678
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -45.180
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -55.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -543.755624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.755624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.755624 (E_RNA)
where:
Base-Base interactions energy: -341.989
where: short stacking energy: -167.161
Base-Backbone interact. energy: -0.248
local terms energy: -201.518358
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -39.235
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -50.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -393.029997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.029997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.029997 (E_RNA)
where:
Base-Base interactions energy: -226.926
where: short stacking energy: -117.702
Base-Backbone interact. energy: -0.365
local terms energy: -165.738875
where:
bonds (distance) C4'-P energy: -40.707
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -39.875
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -26.785
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: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -250.581476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.581476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.581476 (E_RNA)
where:
Base-Base interactions energy: -109.307
where: short stacking energy: -69.238
Base-Backbone interact. energy: -2.803
local terms energy: -138.471427
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -39.679
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -202.737613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.737613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.737613 (E_RNA)
where:
Base-Base interactions energy: -81.962
where: short stacking energy: -69.034
Base-Backbone interact. energy: -0.154
local terms energy: -120.620913
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -45.643
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -877.608325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.608325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.608325 (E_RNA)
where:
Base-Base interactions energy: -611.762
where: short stacking energy: -254.287
Base-Backbone interact. energy: -0.134
local terms energy: -265.711949
where:
bonds (distance) C4'-P energy: -42.759
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -50.731
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -81.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -849.734127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.734127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.734127 (E_RNA)
where:
Base-Base interactions energy: -605.354
where: short stacking energy: -244.745
Base-Backbone interact. energy: 0.411
local terms energy: -244.791178
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -50.342
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -68.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -792.117123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.117123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.117123 (E_RNA)
where:
Base-Base interactions energy: -561.501
where: short stacking energy: -223.411
Base-Backbone interact. energy: 0.903
local terms energy: -231.519215
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -47.772
flat angles C4'-P-C4' energy: -43.644
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -62.233
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: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -767.745257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.745257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.745257 (E_RNA)
where:
Base-Base interactions energy: -532.477
where: short stacking energy: -217.027
Base-Backbone interact. energy: -0.183
local terms energy: -235.084488
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -45.832
flat angles C4'-P-C4' energy: -44.683
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -69.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -713.546998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.546998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.546998 (E_RNA)
where:
Base-Base interactions energy: -493.307
where: short stacking energy: -217.379
Base-Backbone interact. energy: 1.360
local terms energy: -221.599903
where:
bonds (distance) C4'-P energy: -31.872
bonds (distance) P-C4' energy: -50.247
flat angles C4'-P-C4' energy: -44.258
flat angles P-C4'-P energy: -26.956
tors. eta vs tors. theta energy: -68.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -647.120536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.120536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.120536 (E_RNA)
where:
Base-Base interactions energy: -453.503
where: short stacking energy: -194.301
Base-Backbone interact. energy: 0.775
local terms energy: -194.392912
where:
bonds (distance) C4'-P energy: -36.443
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -37.841
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -55.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -509.953374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.953374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.953374 (E_RNA)
where:
Base-Base interactions energy: -318.520
where: short stacking energy: -145.987
Base-Backbone interact. energy: 0.532
local terms energy: -191.965833
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -33.545
flat angles C4'-P-C4' energy: -41.550
flat angles P-C4'-P energy: -31.696
tors. eta vs tors. theta energy: -38.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -391.423221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.423221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.423221 (E_RNA)
where:
Base-Base interactions energy: -230.273
where: short stacking energy: -105.687
Base-Backbone interact. energy: -3.123
local terms energy: -158.027246
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -39.820
flat angles C4'-P-C4' energy: -49.286
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -263.445030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.445030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.445030 (E_RNA)
where:
Base-Base interactions energy: -139.280
where: short stacking energy: -88.204
Base-Backbone interact. energy: -0.574
local terms energy: -123.590974
where:
bonds (distance) C4'-P energy: -32.490
bonds (distance) P-C4' energy: -35.238
flat angles C4'-P-C4' energy: -36.535
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: 1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -205.475159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.475159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.475159 (E_RNA)
where:
Base-Base interactions energy: -72.788
where: short stacking energy: -70.052
Base-Backbone interact. energy: -0.550
local terms energy: -132.137142
where:
bonds (distance) C4'-P energy: -42.515
bonds (distance) P-C4' energy: -49.615
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -882.618150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.618150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.618150 (E_RNA)
where:
Base-Base interactions energy: -624.799
where: short stacking energy: -266.084
Base-Backbone interact. energy: -0.118
local terms energy: -257.701322
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -42.314
flat angles C4'-P-C4' energy: -53.403
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -78.134
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: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -810.343271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.343271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.343271 (E_RNA)
where:
Base-Base interactions energy: -575.034
where: short stacking energy: -233.462
Base-Backbone interact. energy: 0.038
local terms energy: -235.347687
where:
bonds (distance) C4'-P energy: -46.414
bonds (distance) P-C4' energy: -45.554
flat angles C4'-P-C4' energy: -48.753
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: -60.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -843.040927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.040927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.040927 (E_RNA)
where:
Base-Base interactions energy: -608.119
where: short stacking energy: -248.708
Base-Backbone interact. energy: 0.019
local terms energy: -234.940517
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -42.374
flat angles C4'-P-C4' energy: -52.846
flat angles P-C4'-P energy: -29.973
tors. eta vs tors. theta energy: -66.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -750.748655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.748655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.748655 (E_RNA)
where:
Base-Base interactions energy: -512.294
where: short stacking energy: -228.385
Base-Backbone interact. energy: 0.088
local terms energy: -238.542959
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -50.503
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -64.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -739.958096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.958096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.958096 (E_RNA)
where:
Base-Base interactions energy: -510.083
where: short stacking energy: -210.356
Base-Backbone interact. energy: 0.379
local terms energy: -230.253330
where:
bonds (distance) C4'-P energy: -37.463
bonds (distance) P-C4' energy: -45.250
flat angles C4'-P-C4' energy: -48.777
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -69.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -649.952312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.952312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.952312 (E_RNA)
where:
Base-Base interactions energy: -439.071
where: short stacking energy: -187.357
Base-Backbone interact. energy: -1.287
local terms energy: -209.594660
where:
bonds (distance) C4'-P energy: -45.198
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -43.430
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -53.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -552.321614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.321614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.321614 (E_RNA)
where:
Base-Base interactions energy: -349.877
where: short stacking energy: -177.392
Base-Backbone interact. energy: -0.260
local terms energy: -202.184497
where:
bonds (distance) C4'-P energy: -41.408
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -39.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -284.367034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.367034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.367034 (E_RNA)
where:
Base-Base interactions energy: -137.268
where: short stacking energy: -93.396
Base-Backbone interact. energy: -0.522
local terms energy: -146.577704
where:
bonds (distance) C4'-P energy: -47.684
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -36.551
flat angles P-C4'-P energy: -19.386
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -332.474801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.474801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.474801 (E_RNA)
where:
Base-Base interactions energy: -185.222
where: short stacking energy: -91.969
Base-Backbone interact. energy: -1.494
local terms energy: -145.758780
where:
bonds (distance) C4'-P energy: -37.485
bonds (distance) P-C4' energy: -38.684
flat angles C4'-P-C4' energy: -39.782
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -11.855
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: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -205.048404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.048404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.048404 (E_RNA)
where:
Base-Base interactions energy: -86.748
where: short stacking energy: -68.303
Base-Backbone interact. energy: 4.522
local terms energy: -122.822142
where:
bonds (distance) C4'-P energy: -42.711
bonds (distance) P-C4' energy: -35.879
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: 2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -881.786822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.786822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.786822 (E_RNA)
where:
Base-Base interactions energy: -618.459
where: short stacking energy: -252.416
Base-Backbone interact. energy: -0.710
local terms energy: -262.617898
where:
bonds (distance) C4'-P energy: -44.256
bonds (distance) P-C4' energy: -47.872
flat angles C4'-P-C4' energy: -56.766
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -74.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -802.246450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.246450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.246450 (E_RNA)
where:
Base-Base interactions energy: -575.328
where: short stacking energy: -219.682
Base-Backbone interact. energy: -0.384
local terms energy: -226.534499
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -44.033
flat angles C4'-P-C4' energy: -43.387
flat angles P-C4'-P energy: -34.130
tors. eta vs tors. theta energy: -60.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -838.620457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.620457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.620457 (E_RNA)
where:
Base-Base interactions energy: -599.930
where: short stacking energy: -251.994
Base-Backbone interact. energy: -2.691
local terms energy: -235.999822
where:
bonds (distance) C4'-P energy: -44.070
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -45.895
flat angles P-C4'-P energy: -36.219
tors. eta vs tors. theta energy: -70.346
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: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -750.062112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.062112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.062112 (E_RNA)
where:
Base-Base interactions energy: -512.768
where: short stacking energy: -230.663
Base-Backbone interact. energy: -0.177
local terms energy: -237.117476
where:
bonds (distance) C4'-P energy: -38.658
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -52.607
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -66.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -751.207483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.207483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.207483 (E_RNA)
where:
Base-Base interactions energy: -545.494
where: short stacking energy: -210.109
Base-Backbone interact. energy: -0.793
local terms energy: -204.920177
where:
bonds (distance) C4'-P energy: -40.439
bonds (distance) P-C4' energy: -32.708
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -64.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -635.254821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.254821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.254821 (E_RNA)
where:
Base-Base interactions energy: -442.106
where: short stacking energy: -193.015
Base-Backbone interact. energy: 1.514
local terms energy: -194.662691
where:
bonds (distance) C4'-P energy: -42.222
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -41.747
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -47.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -541.341229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.341229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.341229 (E_RNA)
where:
Base-Base interactions energy: -349.201
where: short stacking energy: -170.201
Base-Backbone interact. energy: -0.579
local terms energy: -191.560632
where:
bonds (distance) C4'-P energy: -40.661
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -29.481
tors. eta vs tors. theta energy: -41.085
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: 174
Temperature: 1.250000
Total energy: -278.599605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.599605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.599605 (E_RNA)
where:
Base-Base interactions energy: -128.709
where: short stacking energy: -81.348
Base-Backbone interact. energy: 0.977
local terms energy: -150.867851
where:
bonds (distance) C4'-P energy: -39.830
bonds (distance) P-C4' energy: -41.107
flat angles C4'-P-C4' energy: -42.587
flat angles P-C4'-P energy: -18.857
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -265.885055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.885055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.885055 (E_RNA)
where:
Base-Base interactions energy: -123.875
where: short stacking energy: -74.691
Base-Backbone interact. energy: 2.946
local terms energy: -144.956158
where:
bonds (distance) C4'-P energy: -45.436
bonds (distance) P-C4' energy: -47.080
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -197.885646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.885646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.885646 (E_RNA)
where:
Base-Base interactions energy: -68.758
where: short stacking energy: -64.926
Base-Backbone interact. energy: 1.209
local terms energy: -130.336298
where:
bonds (distance) C4'-P energy: -43.746
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: 2.415
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: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -877.907699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.907699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.907699 (E_RNA)
where:
Base-Base interactions energy: -614.568
where: short stacking energy: -252.959
Base-Backbone interact. energy: -0.866
local terms energy: -262.473279
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -54.069
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -76.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -851.777387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.777387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.777387 (E_RNA)
where:
Base-Base interactions energy: -594.786
where: short stacking energy: -235.416
Base-Backbone interact. energy: 0.104
local terms energy: -257.095055
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -47.196
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -66.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -803.842661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.842661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.842661 (E_RNA)
where:
Base-Base interactions energy: -561.333
where: short stacking energy: -221.815
Base-Backbone interact. energy: -1.215
local terms energy: -241.294464
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -50.559
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -62.968
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: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -760.646169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.646169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.646169 (E_RNA)
where:
Base-Base interactions energy: -536.035
where: short stacking energy: -213.227
Base-Backbone interact. energy: 0.517
local terms energy: -225.128402
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -39.898
flat angles C4'-P-C4' energy: -42.847
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -66.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -706.180078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.180078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.180078 (E_RNA)
where:
Base-Base interactions energy: -491.391
where: short stacking energy: -195.633
Base-Backbone interact. energy: -1.826
local terms energy: -212.962912
where:
bonds (distance) C4'-P energy: -40.255
bonds (distance) P-C4' energy: -35.111
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -33.169
tors. eta vs tors. theta energy: -54.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -610.426804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.426804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.426804 (E_RNA)
where:
Base-Base interactions energy: -406.819
where: short stacking energy: -185.872
Base-Backbone interact. energy: 0.478
local terms energy: -204.085913
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -43.676
flat angles C4'-P-C4' energy: -43.238
flat angles P-C4'-P energy: -26.771
tors. eta vs tors. theta energy: -47.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -574.713586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.713586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.713586 (E_RNA)
where:
Base-Base interactions energy: -369.669
where: short stacking energy: -195.105
Base-Backbone interact. energy: -0.521
local terms energy: -204.523478
where:
bonds (distance) C4'-P energy: -44.128
bonds (distance) P-C4' energy: -43.493
flat angles C4'-P-C4' energy: -46.773
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -52.155
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: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -270.597445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.597445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.597445 (E_RNA)
where:
Base-Base interactions energy: -138.425
where: short stacking energy: -90.448
Base-Backbone interact. energy: -0.362
local terms energy: -131.810713
where:
bonds (distance) C4'-P energy: -41.949
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -30.290
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: -0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -251.708137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.708137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.708137 (E_RNA)
where:
Base-Base interactions energy: -97.803
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.264
local terms energy: -153.641086
where:
bonds (distance) C4'-P energy: -48.365
bonds (distance) P-C4' energy: -36.906
flat angles C4'-P-C4' energy: -37.369
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -216.497454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.497454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.497454 (E_RNA)
where:
Base-Base interactions energy: -89.366
where: short stacking energy: -69.063
Base-Backbone interact. energy: 0.299
local terms energy: -127.430214
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -33.423
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -5.124
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: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -869.080463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.080463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.080463 (E_RNA)
where:
Base-Base interactions energy: -612.264
where: short stacking energy: -257.567
Base-Backbone interact. energy: -0.813
local terms energy: -256.003158
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -48.208
flat angles C4'-P-C4' energy: -53.715
flat angles P-C4'-P energy: -34.810
tors. eta vs tors. theta energy: -69.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -862.995444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.995444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.995444 (E_RNA)
where:
Base-Base interactions energy: -600.457
where: short stacking energy: -259.549
Base-Backbone interact. energy: -0.176
local terms energy: -262.362230
where:
bonds (distance) C4'-P energy: -45.433
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -56.840
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -82.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -751.745620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.745620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.745620 (E_RNA)
where:
Base-Base interactions energy: -511.287
where: short stacking energy: -230.767
Base-Backbone interact. energy: -2.286
local terms energy: -238.172497
where:
bonds (distance) C4'-P energy: -46.387
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -47.062
flat angles P-C4'-P energy: -31.176
tors. eta vs tors. theta energy: -67.934
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: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -779.548916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.548916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.548916 (E_RNA)
where:
Base-Base interactions energy: -552.965
where: short stacking energy: -212.879
Base-Backbone interact. energy: -0.016
local terms energy: -226.567677
where:
bonds (distance) C4'-P energy: -39.178
bonds (distance) P-C4' energy: -46.594
flat angles C4'-P-C4' energy: -52.207
flat angles P-C4'-P energy: -31.417
tors. eta vs tors. theta energy: -57.171
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: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -705.724837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.724837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.724837 (E_RNA)
where:
Base-Base interactions energy: -480.765
where: short stacking energy: -199.853
Base-Backbone interact. energy: -0.484
local terms energy: -224.475863
where:
bonds (distance) C4'-P energy: -40.462
bonds (distance) P-C4' energy: -45.563
flat angles C4'-P-C4' energy: -49.653
flat angles P-C4'-P energy: -30.035
tors. eta vs tors. theta energy: -58.763
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: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -582.074865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.074865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.074865 (E_RNA)
where:
Base-Base interactions energy: -403.337
where: short stacking energy: -159.962
Base-Backbone interact. energy: -0.637
local terms energy: -178.101049
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -29.495
flat angles C4'-P-C4' energy: -35.729
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -526.220367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.220367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.220367 (E_RNA)
where:
Base-Base interactions energy: -334.353
where: short stacking energy: -175.003
Base-Backbone interact. energy: -0.414
local terms energy: -191.453683
where:
bonds (distance) C4'-P energy: -36.497
bonds (distance) P-C4' energy: -37.816
flat angles C4'-P-C4' energy: -47.296
flat angles P-C4'-P energy: -27.147
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: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -261.262046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.262046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.262046 (E_RNA)
where:
Base-Base interactions energy: -110.933
where: short stacking energy: -74.886
Base-Backbone interact. energy: 0.582
local terms energy: -150.911700
where:
bonds (distance) C4'-P energy: -45.356
bonds (distance) P-C4' energy: -51.351
flat angles C4'-P-C4' energy: -33.931
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -254.749308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.749308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.749308 (E_RNA)
where:
Base-Base interactions energy: -110.899
where: short stacking energy: -65.930
Base-Backbone interact. energy: 0.025
local terms energy: -143.875703
where:
bonds (distance) C4'-P energy: -40.072
bonds (distance) P-C4' energy: -43.129
flat angles C4'-P-C4' energy: -40.628
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: 1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -195.238914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.238914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.238914 (E_RNA)
where:
Base-Base interactions energy: -71.345
where: short stacking energy: -69.904
Base-Backbone interact. energy: 1.548
local terms energy: -125.442756
where:
bonds (distance) C4'-P energy: -42.235
bonds (distance) P-C4' energy: -40.229
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -20.071
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: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -872.969322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.969322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.969322 (E_RNA)
where:
Base-Base interactions energy: -619.830
where: short stacking energy: -257.450
Base-Backbone interact. energy: 0.431
local terms energy: -253.569574
where:
bonds (distance) C4'-P energy: -47.498
bonds (distance) P-C4' energy: -46.096
flat angles C4'-P-C4' energy: -47.992
flat angles P-C4'-P energy: -36.668
tors. eta vs tors. theta energy: -75.316
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: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -857.355429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.355429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.355429 (E_RNA)
where:
Base-Base interactions energy: -607.326
where: short stacking energy: -255.124
Base-Backbone interact. energy: -0.173
local terms energy: -249.856373
where:
bonds (distance) C4'-P energy: -42.104
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -51.325
flat angles P-C4'-P energy: -39.240
tors. eta vs tors. theta energy: -77.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -772.827780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.827780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.827780 (E_RNA)
where:
Base-Base interactions energy: -554.177
where: short stacking energy: -235.728
Base-Backbone interact. energy: -1.998
local terms energy: -216.652516
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -44.670
flat angles C4'-P-C4' energy: -50.658
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -66.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -765.551495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.551495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.551495 (E_RNA)
where:
Base-Base interactions energy: -552.552
where: short stacking energy: -221.190
Base-Backbone interact. energy: 1.877
local terms energy: -214.876276
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -46.833
flat angles P-C4'-P energy: -28.098
tors. eta vs tors. theta energy: -62.722
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: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -722.750668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.750668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.750668 (E_RNA)
where:
Base-Base interactions energy: -484.597
where: short stacking energy: -213.365
Base-Backbone interact. energy: -1.465
local terms energy: -236.688727
where:
bonds (distance) C4'-P energy: -42.324
bonds (distance) P-C4' energy: -48.531
flat angles C4'-P-C4' energy: -53.165
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -63.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -576.602641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.602641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.602641 (E_RNA)
where:
Base-Base interactions energy: -421.282
where: short stacking energy: -156.903
Base-Backbone interact. energy: -0.441
local terms energy: -154.879949
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -31.174
flat angles C4'-P-C4' energy: -40.548
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -20.731
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: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -514.554254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.554254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.554254 (E_RNA)
where:
Base-Base interactions energy: -328.489
where: short stacking energy: -157.844
Base-Backbone interact. energy: -0.307
local terms energy: -185.758249
where:
bonds (distance) C4'-P energy: -40.035
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -37.914
flat angles P-C4'-P energy: -30.638
tors. eta vs tors. theta energy: -37.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -253.717282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.717282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.717282 (E_RNA)
where:
Base-Base interactions energy: -116.347
where: short stacking energy: -66.536
Base-Backbone interact. energy: -1.243
local terms energy: -136.126596
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -40.899
flat angles C4'-P-C4' energy: -39.221
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: 2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -229.862784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.862784 (E_RNA)
where:
Base-Base interactions energy: -93.034
where: short stacking energy: -77.826
Base-Backbone interact. energy: 0.032
local terms energy: -136.860646
where:
bonds (distance) C4'-P energy: -39.202
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -34.336
flat angles P-C4'-P energy: -27.256
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -221.457883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.457883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.457883 (E_RNA)
where:
Base-Base interactions energy: -70.746
where: short stacking energy: -65.964
Base-Backbone interact. energy: 0.436
local terms energy: -151.147964
where:
bonds (distance) C4'-P energy: -43.821
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -26.213
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: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -883.145874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.145874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.145874 (E_RNA)
where:
Base-Base interactions energy: -606.676
where: short stacking energy: -262.479
Base-Backbone interact. energy: -0.893
local terms energy: -275.577299
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -60.319
flat angles P-C4'-P energy: -38.439
tors. eta vs tors. theta energy: -79.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -865.847420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.847420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.847420 (E_RNA)
where:
Base-Base interactions energy: -610.480
where: short stacking energy: -256.013
Base-Backbone interact. energy: -1.353
local terms energy: -254.014272
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -55.214
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -73.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -803.665673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.665673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.665673 (E_RNA)
where:
Base-Base interactions energy: -561.139
where: short stacking energy: -229.238
Base-Backbone interact. energy: -0.004
local terms energy: -242.522352
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -49.004
flat angles C4'-P-C4' energy: -55.122
flat angles P-C4'-P energy: -36.228
tors. eta vs tors. theta energy: -63.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -773.368339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.368339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.368339 (E_RNA)
where:
Base-Base interactions energy: -558.866
where: short stacking energy: -238.561
Base-Backbone interact. energy: -0.505
local terms energy: -213.996432
where:
bonds (distance) C4'-P energy: -33.811
bonds (distance) P-C4' energy: -39.432
flat angles C4'-P-C4' energy: -48.494
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -72.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -721.366126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.366126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.366126 (E_RNA)
where:
Base-Base interactions energy: -482.991
where: short stacking energy: -219.522
Base-Backbone interact. energy: -0.057
local terms energy: -238.318870
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -47.689
flat angles P-C4'-P energy: -21.364
tors. eta vs tors. theta energy: -69.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -562.570334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.570334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.570334 (E_RNA)
where:
Base-Base interactions energy: -374.793
where: short stacking energy: -170.197
Base-Backbone interact. energy: -0.616
local terms energy: -187.160618
where:
bonds (distance) C4'-P energy: -41.986
bonds (distance) P-C4' energy: -35.814
flat angles C4'-P-C4' energy: -44.761
flat angles P-C4'-P energy: -21.858
tors. eta vs tors. theta energy: -42.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -521.165568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.165568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.165568 (E_RNA)
where:
Base-Base interactions energy: -323.688
where: short stacking energy: -166.418
Base-Backbone interact. energy: 1.542
local terms energy: -199.019505
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -42.692
flat angles C4'-P-C4' energy: -46.497
flat angles P-C4'-P energy: -31.778
tors. eta vs tors. theta energy: -41.919
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: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -289.594437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.594437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.594437 (E_RNA)
where:
Base-Base interactions energy: -140.251
where: short stacking energy: -93.237
Base-Backbone interact. energy: 0.658
local terms energy: -150.000976
where:
bonds (distance) C4'-P energy: -36.536
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -39.696
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -209.672090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.672090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.672090 (E_RNA)
where:
Base-Base interactions energy: -72.506
where: short stacking energy: -62.265
Base-Backbone interact. energy: 6.883
local terms energy: -144.048843
where:
bonds (distance) C4'-P energy: -41.143
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -32.630
flat angles P-C4'-P energy: -24.892
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -196.036262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.036262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.036262 (E_RNA)
where:
Base-Base interactions energy: -74.618
where: short stacking energy: -59.459
Base-Backbone interact. energy: 5.707
local terms energy: -127.124779
where:
bonds (distance) C4'-P energy: -35.557
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -885.368543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.368543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.368543 (E_RNA)
where:
Base-Base interactions energy: -618.254
where: short stacking energy: -260.095
Base-Backbone interact. energy: -0.735
local terms energy: -266.379594
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -52.576
flat angles C4'-P-C4' energy: -49.852
flat angles P-C4'-P energy: -40.985
tors. eta vs tors. theta energy: -79.482
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: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -815.735349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.735349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.735349 (E_RNA)
where:
Base-Base interactions energy: -577.115
where: short stacking energy: -217.077
Base-Backbone interact. energy: -0.256
local terms energy: -238.364552
where:
bonds (distance) C4'-P energy: -45.389
bonds (distance) P-C4' energy: -36.822
flat angles C4'-P-C4' energy: -55.886
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -66.032
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: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -856.376499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.376499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.376499 (E_RNA)
where:
Base-Base interactions energy: -610.232
where: short stacking energy: -250.022
Base-Backbone interact. energy: -1.299
local terms energy: -244.846345
where:
bonds (distance) C4'-P energy: -44.882
bonds (distance) P-C4' energy: -40.038
flat angles C4'-P-C4' energy: -52.791
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -71.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -753.943757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.943757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.943757 (E_RNA)
where:
Base-Base interactions energy: -517.900
where: short stacking energy: -210.206
Base-Backbone interact. energy: -1.666
local terms energy: -234.378173
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -40.880
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -31.170
tors. eta vs tors. theta energy: -64.800
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: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -718.456481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.456481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.456481 (E_RNA)
where:
Base-Base interactions energy: -484.075
where: short stacking energy: -225.273
Base-Backbone interact. energy: -0.426
local terms energy: -233.955648
where:
bonds (distance) C4'-P energy: -40.524
bonds (distance) P-C4' energy: -39.390
flat angles C4'-P-C4' energy: -48.290
flat angles P-C4'-P energy: -36.030
tors. eta vs tors. theta energy: -69.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -583.100651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.100651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.100651 (E_RNA)
where:
Base-Base interactions energy: -392.052
where: short stacking energy: -164.104
Base-Backbone interact. energy: 0.314
local terms energy: -191.362854
where:
bonds (distance) C4'-P energy: -38.548
bonds (distance) P-C4' energy: -44.922
flat angles C4'-P-C4' energy: -42.462
flat angles P-C4'-P energy: -31.533
tors. eta vs tors. theta energy: -33.898
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: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -515.285251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.285251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.285251 (E_RNA)
where:
Base-Base interactions energy: -335.164
where: short stacking energy: -163.291
Base-Backbone interact. energy: -0.883
local terms energy: -179.238985
where:
bonds (distance) C4'-P energy: -31.591
bonds (distance) P-C4' energy: -37.693
flat angles C4'-P-C4' energy: -40.739
flat angles P-C4'-P energy: -32.628
tors. eta vs tors. theta energy: -36.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -314.359073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.359073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.359073 (E_RNA)
where:
Base-Base interactions energy: -162.693
where: short stacking energy: -99.648
Base-Backbone interact. energy: 2.095
local terms energy: -153.760859
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -38.677
flat angles P-C4'-P energy: -28.107
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: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -238.440984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.440984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.440984 (E_RNA)
where:
Base-Base interactions energy: -92.815
where: short stacking energy: -84.483
Base-Backbone interact. energy: 0.651
local terms energy: -146.276954
where:
bonds (distance) C4'-P energy: -43.073
bonds (distance) P-C4' energy: -46.641
flat angles C4'-P-C4' energy: -28.272
flat angles P-C4'-P energy: -25.236
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -197.465508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.465508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.465508 (E_RNA)
where:
Base-Base interactions energy: -66.883
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.312
local terms energy: -130.269861
where:
bonds (distance) C4'-P energy: -34.952
bonds (distance) P-C4' energy: -40.944
flat angles C4'-P-C4' energy: -41.247
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: 4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -870.882371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.882371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.882371 (E_RNA)
where:
Base-Base interactions energy: -608.355
where: short stacking energy: -257.001
Base-Backbone interact. energy: -0.545
local terms energy: -261.982623
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -47.116
flat angles C4'-P-C4' energy: -54.029
flat angles P-C4'-P energy: -32.971
tors. eta vs tors. theta energy: -79.821
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: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -809.441527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.441527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.441527 (E_RNA)
where:
Base-Base interactions energy: -561.443
where: short stacking energy: -230.785
Base-Backbone interact. energy: -1.037
local terms energy: -246.961695
where:
bonds (distance) C4'-P energy: -45.956
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -51.111
flat angles P-C4'-P energy: -32.122
tors. eta vs tors. theta energy: -69.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -836.328153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.328153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.328153 (E_RNA)
where:
Base-Base interactions energy: -587.203
where: short stacking energy: -231.310
Base-Backbone interact. energy: -1.230
local terms energy: -247.894567
where:
bonds (distance) C4'-P energy: -43.191
bonds (distance) P-C4' energy: -51.140
flat angles C4'-P-C4' energy: -54.016
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -67.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -747.672574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.672574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.672574 (E_RNA)
where:
Base-Base interactions energy: -543.986
where: short stacking energy: -217.764
Base-Backbone interact. energy: -2.369
local terms energy: -201.317810
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -45.712
flat angles C4'-P-C4' energy: -48.351
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -63.468
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -727.836772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.836772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.836772 (E_RNA)
where:
Base-Base interactions energy: -499.139
where: short stacking energy: -213.873
Base-Backbone interact. energy: -0.808
local terms energy: -227.890115
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -49.780
flat angles C4'-P-C4' energy: -42.217
flat angles P-C4'-P energy: -34.446
tors. eta vs tors. theta energy: -64.611
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: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -585.628501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.628501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.628501 (E_RNA)
where:
Base-Base interactions energy: -398.032
where: short stacking energy: -169.952
Base-Backbone interact. energy: 0.570
local terms energy: -188.166867
where:
bonds (distance) C4'-P energy: -40.716
bonds (distance) P-C4' energy: -42.403
flat angles C4'-P-C4' energy: -41.545
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -40.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -514.471849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.471849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.471849 (E_RNA)
where:
Base-Base interactions energy: -326.591
where: short stacking energy: -161.687
Base-Backbone interact. energy: -1.171
local terms energy: -186.709876
where:
bonds (distance) C4'-P energy: -39.093
bonds (distance) P-C4' energy: -40.446
flat angles C4'-P-C4' energy: -42.931
flat angles P-C4'-P energy: -31.598
tors. eta vs tors. theta energy: -32.642
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: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -334.858470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.858470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.858470 (E_RNA)
where:
Base-Base interactions energy: -193.123
where: short stacking energy: -94.528
Base-Backbone interact. energy: -1.390
local terms energy: -140.345533
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -37.498
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -212.763257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.763257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.763257 (E_RNA)
where:
Base-Base interactions energy: -66.069
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.831
local terms energy: -145.863700
where:
bonds (distance) C4'-P energy: -38.057
bonds (distance) P-C4' energy: -44.956
flat angles C4'-P-C4' energy: -33.448
flat angles P-C4'-P energy: -25.715
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: 180
Temperature: 1.350000
Total energy: -201.835334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.835334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.835334 (E_RNA)
where:
Base-Base interactions energy: -65.798
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.357
local terms energy: -135.680559
where:
bonds (distance) C4'-P energy: -32.664
bonds (distance) P-C4' energy: -46.368
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -27.110
tors. eta vs tors. theta energy: -0.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -860.761358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.761358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.761358 (E_RNA)
where:
Base-Base interactions energy: -589.746
where: short stacking energy: -254.535
Base-Backbone interact. energy: -0.094
local terms energy: -270.921739
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -54.505
flat angles C4'-P-C4' energy: -52.196
flat angles P-C4'-P energy: -39.438
tors. eta vs tors. theta energy: -80.047
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -800.192190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.192190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.192190 (E_RNA)
where:
Base-Base interactions energy: -555.057
where: short stacking energy: -223.175
Base-Backbone interact. energy: -0.392
local terms energy: -244.743207
where:
bonds (distance) C4'-P energy: -43.622
bonds (distance) P-C4' energy: -48.623
flat angles C4'-P-C4' energy: -52.102
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: -65.756
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: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -840.298109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.298109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.298109 (E_RNA)
where:
Base-Base interactions energy: -588.530
where: short stacking energy: -240.376
Base-Backbone interact. energy: -0.943
local terms energy: -250.824844
where:
bonds (distance) C4'-P energy: -45.795
bonds (distance) P-C4' energy: -47.807
flat angles C4'-P-C4' energy: -53.874
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -70.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -769.353205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.353205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.353205 (E_RNA)
where:
Base-Base interactions energy: -536.777
where: short stacking energy: -243.632
Base-Backbone interact. energy: -0.320
local terms energy: -232.255642
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -42.924
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: -75.086
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: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -739.402869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.402869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.402869 (E_RNA)
where:
Base-Base interactions energy: -505.032
where: short stacking energy: -214.187
Base-Backbone interact. energy: -0.813
local terms energy: -233.557836
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -48.983
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -67.498
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: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -571.667970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.667970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.667970 (E_RNA)
where:
Base-Base interactions energy: -378.075
where: short stacking energy: -160.769
Base-Backbone interact. energy: -1.954
local terms energy: -191.639807
where:
bonds (distance) C4'-P energy: -46.757
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -42.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -528.051561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.051561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.051561 (E_RNA)
where:
Base-Base interactions energy: -352.537
where: short stacking energy: -163.455
Base-Backbone interact. energy: 0.658
local terms energy: -176.172818
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -45.808
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -35.127
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: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -315.694360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.694360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.694360 (E_RNA)
where:
Base-Base interactions energy: -160.435
where: short stacking energy: -87.917
Base-Backbone interact. energy: -0.852
local terms energy: -154.407436
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -42.755
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -268.598199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.598199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.598199 (E_RNA)
where:
Base-Base interactions energy: -133.257
where: short stacking energy: -80.669
Base-Backbone interact. energy: -0.897
local terms energy: -134.444270
where:
bonds (distance) C4'-P energy: -42.563
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -226.459315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.459315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.459315 (E_RNA)
where:
Base-Base interactions energy: -95.960
where: short stacking energy: -77.745
Base-Backbone interact. energy: 6.512
local terms energy: -137.011665
where:
bonds (distance) C4'-P energy: -44.601
bonds (distance) P-C4' energy: -37.222
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -868.235975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.235975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.235975 (E_RNA)
where:
Base-Base interactions energy: -601.435
where: short stacking energy: -262.739
Base-Backbone interact. energy: -0.292
local terms energy: -266.509283
where:
bonds (distance) C4'-P energy: -50.459
bonds (distance) P-C4' energy: -50.025
flat angles C4'-P-C4' energy: -49.584
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: -79.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -818.724273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.724273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.724273 (E_RNA)
where:
Base-Base interactions energy: -583.572
where: short stacking energy: -229.579
Base-Backbone interact. energy: -0.163
local terms energy: -234.988498
where:
bonds (distance) C4'-P energy: -43.958
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -48.747
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -66.381
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: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -832.825882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.825882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.825882 (E_RNA)
where:
Base-Base interactions energy: -581.861
where: short stacking energy: -242.163
Base-Backbone interact. energy: -0.524
local terms energy: -250.441345
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -47.719
flat angles C4'-P-C4' energy: -54.078
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -68.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -792.974913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.974913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.974913 (E_RNA)
where:
Base-Base interactions energy: -555.251
where: short stacking energy: -236.649
Base-Backbone interact. energy: 0.800
local terms energy: -238.523519
where:
bonds (distance) C4'-P energy: -43.920
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -50.934
flat angles P-C4'-P energy: -32.216
tors. eta vs tors. theta energy: -72.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -727.391944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.391944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.391944 (E_RNA)
where:
Base-Base interactions energy: -500.701
where: short stacking energy: -199.642
Base-Backbone interact. energy: -0.816
local terms energy: -225.874936
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -41.183
flat angles C4'-P-C4' energy: -48.323
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -64.912
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: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -570.660466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.660466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.660466 (E_RNA)
where:
Base-Base interactions energy: -353.266
where: short stacking energy: -164.075
Base-Backbone interact. energy: -0.904
local terms energy: -216.490625
where:
bonds (distance) C4'-P energy: -43.276
bonds (distance) P-C4' energy: -42.496
flat angles C4'-P-C4' energy: -48.384
flat angles P-C4'-P energy: -30.807
tors. eta vs tors. theta energy: -51.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -529.964045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.964045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.964045 (E_RNA)
where:
Base-Base interactions energy: -348.357
where: short stacking energy: -148.287
Base-Backbone interact. energy: -2.510
local terms energy: -179.097436
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -41.582
flat angles P-C4'-P energy: -26.116
tors. eta vs tors. theta energy: -32.589
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -328.673891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.673891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.673891 (E_RNA)
where:
Base-Base interactions energy: -165.667
where: short stacking energy: -89.986
Base-Backbone interact. energy: 2.298
local terms energy: -165.304052
where:
bonds (distance) C4'-P energy: -36.988
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -43.810
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -15.631
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: 182
Temperature: 1.300000
Total energy: -277.149278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.149278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.149278 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -83.272
Base-Backbone interact. energy: -0.326
local terms energy: -135.118129
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -49.379
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -217.312771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.312771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.312771 (E_RNA)
where:
Base-Base interactions energy: -87.025
where: short stacking energy: -74.891
Base-Backbone interact. energy: -0.138
local terms energy: -130.149993
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -874.138683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.138683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.138683 (E_RNA)
where:
Base-Base interactions energy: -596.622
where: short stacking energy: -252.105
Base-Backbone interact. energy: -0.727
local terms energy: -276.789707
where:
bonds (distance) C4'-P energy: -46.512
bonds (distance) P-C4' energy: -53.395
flat angles C4'-P-C4' energy: -57.207
flat angles P-C4'-P energy: -39.387
tors. eta vs tors. theta energy: -80.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -856.158654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.158654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.158654 (E_RNA)
where:
Base-Base interactions energy: -607.670
where: short stacking energy: -251.087
Base-Backbone interact. energy: -0.569
local terms energy: -247.919398
where:
bonds (distance) C4'-P energy: -34.729
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -71.479
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: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -799.998368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.998368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.998368 (E_RNA)
where:
Base-Base interactions energy: -583.390
where: short stacking energy: -222.573
Base-Backbone interact. energy: -0.700
local terms energy: -215.907898
where:
bonds (distance) C4'-P energy: -31.728
bonds (distance) P-C4' energy: -45.348
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -31.045
tors. eta vs tors. theta energy: -64.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -782.685420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.685420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.685420 (E_RNA)
where:
Base-Base interactions energy: -547.017
where: short stacking energy: -223.789
Base-Backbone interact. energy: -0.747
local terms energy: -234.921133
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -38.817
flat angles C4'-P-C4' energy: -53.114
flat angles P-C4'-P energy: -35.213
tors. eta vs tors. theta energy: -62.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -732.113382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.113382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.113382 (E_RNA)
where:
Base-Base interactions energy: -504.666
where: short stacking energy: -218.659
Base-Backbone interact. energy: -2.946
local terms energy: -224.501551
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -43.368
flat angles C4'-P-C4' energy: -36.709
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: -63.075
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: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -566.709581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.709581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.709581 (E_RNA)
where:
Base-Base interactions energy: -363.773
where: short stacking energy: -177.917
Base-Backbone interact. energy: -1.152
local terms energy: -201.783900
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -41.370
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -46.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -544.065591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.065591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.065591 (E_RNA)
where:
Base-Base interactions energy: -341.241
where: short stacking energy: -158.314
Base-Backbone interact. energy: -1.565
local terms energy: -201.259957
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -46.968
flat angles C4'-P-C4' energy: -43.575
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: -46.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -336.506031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.506031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.506031 (E_RNA)
where:
Base-Base interactions energy: -195.555
where: short stacking energy: -88.007
Base-Backbone interact. energy: -0.809
local terms energy: -140.141862
where:
bonds (distance) C4'-P energy: -40.210
bonds (distance) P-C4' energy: -36.640
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -20.726
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -261.829351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.829351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.829351 (E_RNA)
where:
Base-Base interactions energy: -125.960
where: short stacking energy: -76.130
Base-Backbone interact. energy: -0.780
local terms energy: -135.089259
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -32.399
flat angles C4'-P-C4' energy: -36.203
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -189.291824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.291824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.291824 (E_RNA)
where:
Base-Base interactions energy: -68.491
where: short stacking energy: -40.626
Base-Backbone interact. energy: -1.880
local terms energy: -118.920690
where:
bonds (distance) C4'-P energy: -33.435
bonds (distance) P-C4' energy: -44.718
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: 13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -853.047815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.047815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.047815 (E_RNA)
where:
Base-Base interactions energy: -605.790
where: short stacking energy: -245.677
Base-Backbone interact. energy: -1.753
local terms energy: -245.505177
where:
bonds (distance) C4'-P energy: -40.179
bonds (distance) P-C4' energy: -48.990
flat angles C4'-P-C4' energy: -48.109
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -66.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -851.676949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.676949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.676949 (E_RNA)
where:
Base-Base interactions energy: -587.941
where: short stacking energy: -241.101
Base-Backbone interact. energy: -1.376
local terms energy: -262.359595
where:
bonds (distance) C4'-P energy: -50.244
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -50.410
flat angles P-C4'-P energy: -42.027
tors. eta vs tors. theta energy: -72.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -829.258781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.258781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.258781 (E_RNA)
where:
Base-Base interactions energy: -593.406
where: short stacking energy: -242.976
Base-Backbone interact. energy: -0.438
local terms energy: -235.414342
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -38.959
flat angles C4'-P-C4' energy: -51.544
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -68.605
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: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -768.138193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.138193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.138193 (E_RNA)
where:
Base-Base interactions energy: -542.051
where: short stacking energy: -222.923
Base-Backbone interact. energy: 0.373
local terms energy: -226.460842
where:
bonds (distance) C4'-P energy: -36.308
bonds (distance) P-C4' energy: -44.411
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: -63.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -721.642395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.642395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.642395 (E_RNA)
where:
Base-Base interactions energy: -500.289
where: short stacking energy: -216.148
Base-Backbone interact. energy: -2.094
local terms energy: -219.258618
where:
bonds (distance) C4'-P energy: -33.095
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -45.492
flat angles P-C4'-P energy: -34.766
tors. eta vs tors. theta energy: -59.647
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: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -570.627466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.627466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.627466 (E_RNA)
where:
Base-Base interactions energy: -369.111
where: short stacking energy: -174.881
Base-Backbone interact. energy: -0.101
local terms energy: -201.415446
where:
bonds (distance) C4'-P energy: -43.689
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: -52.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -547.523000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.523000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.523000 (E_RNA)
where:
Base-Base interactions energy: -351.619
where: short stacking energy: -162.922
Base-Backbone interact. energy: -0.152
local terms energy: -195.751653
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -45.196
flat angles C4'-P-C4' energy: -47.393
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -34.057
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: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -318.253114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.253114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.253114 (E_RNA)
where:
Base-Base interactions energy: -161.423
where: short stacking energy: -85.283
Base-Backbone interact. energy: -1.054
local terms energy: -155.775824
where:
bonds (distance) C4'-P energy: -35.263
bonds (distance) P-C4' energy: -45.435
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -31.995
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: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -217.494876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.494876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.494876 (E_RNA)
where:
Base-Base interactions energy: -73.291
where: short stacking energy: -70.467
Base-Backbone interact. energy: 1.133
local terms energy: -145.336619
where:
bonds (distance) C4'-P energy: -47.656
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -33.267
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: 0.075
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: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -220.257729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.257729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.257729 (E_RNA)
where:
Base-Base interactions energy: -90.325
where: short stacking energy: -53.763
Base-Backbone interact. energy: -1.072
local terms energy: -128.860468
where:
bonds (distance) C4'-P energy: -47.018
bonds (distance) P-C4' energy: -40.262
flat angles C4'-P-C4' energy: -37.772
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: 6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -866.132757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.132757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.132757 (E_RNA)
where:
Base-Base interactions energy: -600.766
where: short stacking energy: -250.160
Base-Backbone interact. energy: 1.680
local terms energy: -267.047457
where:
bonds (distance) C4'-P energy: -50.382
bonds (distance) P-C4' energy: -57.839
flat angles C4'-P-C4' energy: -51.195
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -71.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -849.877454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.877454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.877454 (E_RNA)
where:
Base-Base interactions energy: -601.314
where: short stacking energy: -249.740
Base-Backbone interact. energy: -0.816
local terms energy: -247.746940
where:
bonds (distance) C4'-P energy: -41.382
bonds (distance) P-C4' energy: -45.334
flat angles C4'-P-C4' energy: -51.710
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -73.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -837.533125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.533125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.533125 (E_RNA)
where:
Base-Base interactions energy: -603.306
where: short stacking energy: -241.005
Base-Backbone interact. energy: -0.044
local terms energy: -234.183700
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -40.478
flat angles C4'-P-C4' energy: -51.522
flat angles P-C4'-P energy: -37.264
tors. eta vs tors. theta energy: -64.279
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: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -746.541066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.541066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.541066 (E_RNA)
where:
Base-Base interactions energy: -527.307
where: short stacking energy: -217.638
Base-Backbone interact. energy: -0.595
local terms energy: -218.640014
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -38.789
flat angles C4'-P-C4' energy: -49.747
flat angles P-C4'-P energy: -35.011
tors. eta vs tors. theta energy: -60.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -721.892480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.892480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.892480 (E_RNA)
where:
Base-Base interactions energy: -483.490
where: short stacking energy: -196.466
Base-Backbone interact. energy: -2.659
local terms energy: -235.743144
where:
bonds (distance) C4'-P energy: -47.295
bonds (distance) P-C4' energy: -45.997
flat angles C4'-P-C4' energy: -44.266
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -67.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -589.162272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.162272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.162272 (E_RNA)
where:
Base-Base interactions energy: -398.232
where: short stacking energy: -168.628
Base-Backbone interact. energy: -0.400
local terms energy: -190.530319
where:
bonds (distance) C4'-P energy: -38.437
bonds (distance) P-C4' energy: -42.534
flat angles C4'-P-C4' energy: -36.072
flat angles P-C4'-P energy: -32.250
tors. eta vs tors. theta energy: -41.237
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: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -557.373552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.373552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.373552 (E_RNA)
where:
Base-Base interactions energy: -369.153
where: short stacking energy: -167.370
Base-Backbone interact. energy: -0.465
local terms energy: -187.755954
where:
bonds (distance) C4'-P energy: -38.425
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -29.439
tors. eta vs tors. theta energy: -48.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -331.746743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.746743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.746743 (E_RNA)
where:
Base-Base interactions energy: -184.725
where: short stacking energy: -93.445
Base-Backbone interact. energy: -1.944
local terms energy: -145.077422
where:
bonds (distance) C4'-P energy: -40.584
bonds (distance) P-C4' energy: -42.860
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -211.279660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.279660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.279660 (E_RNA)
where:
Base-Base interactions energy: -76.677
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.657
local terms energy: -133.945457
where:
bonds (distance) C4'-P energy: -38.866
bonds (distance) P-C4' energy: -42.006
flat angles C4'-P-C4' energy: -35.466
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -215.649261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.649261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.649261 (E_RNA)
where:
Base-Base interactions energy: -78.067
where: short stacking energy: -58.009
Base-Backbone interact. energy: 1.374
local terms energy: -138.955989
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -49.898
flat angles C4'-P-C4' energy: -42.623
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: 7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -871.320227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.320227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.320227 (E_RNA)
where:
Base-Base interactions energy: -621.534
where: short stacking energy: -257.938
Base-Backbone interact. energy: 0.109
local terms energy: -249.895042
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -36.956
flat angles C4'-P-C4' energy: -58.537
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: -71.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -864.120422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.120422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.120422 (E_RNA)
where:
Base-Base interactions energy: -611.233
where: short stacking energy: -251.669
Base-Backbone interact. energy: -0.366
local terms energy: -252.521311
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -42.564
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -77.864
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: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -840.312528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.312528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.312528 (E_RNA)
where:
Base-Base interactions energy: -597.695
where: short stacking energy: -232.624
Base-Backbone interact. energy: -0.387
local terms energy: -242.231002
where:
bonds (distance) C4'-P energy: -53.832
bonds (distance) P-C4' energy: -42.111
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -28.378
tors. eta vs tors. theta energy: -66.783
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: 186
Temperature: 1.050000
Total energy: -747.686031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.686031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.686031 (E_RNA)
where:
Base-Base interactions energy: -508.559
where: short stacking energy: -225.533
Base-Backbone interact. energy: -0.744
local terms energy: -238.383440
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -44.624
flat angles C4'-P-C4' energy: -52.664
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -58.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -736.544500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.544500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.544500 (E_RNA)
where:
Base-Base interactions energy: -512.977
where: short stacking energy: -217.963
Base-Backbone interact. energy: -2.659
local terms energy: -220.908528
where:
bonds (distance) C4'-P energy: -30.860
bonds (distance) P-C4' energy: -41.336
flat angles C4'-P-C4' energy: -43.985
flat angles P-C4'-P energy: -36.764
tors. eta vs tors. theta energy: -67.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -587.292704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.292704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.292704 (E_RNA)
where:
Base-Base interactions energy: -412.526
where: short stacking energy: -170.494
Base-Backbone interact. energy: 1.415
local terms energy: -176.182161
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -33.817
flat angles C4'-P-C4' energy: -35.289
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: -39.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -540.476578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.476578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.476578 (E_RNA)
where:
Base-Base interactions energy: -346.640
where: short stacking energy: -185.141
Base-Backbone interact. energy: -0.200
local terms energy: -193.637008
where:
bonds (distance) C4'-P energy: -39.828
bonds (distance) P-C4' energy: -38.294
flat angles C4'-P-C4' energy: -41.251
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -46.204
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -322.389339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.389339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.389339 (E_RNA)
where:
Base-Base interactions energy: -166.502
where: short stacking energy: -93.655
Base-Backbone interact. energy: -0.418
local terms energy: -155.469743
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -38.867
flat angles C4'-P-C4' energy: -41.351
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -221.317819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.317819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.317819 (E_RNA)
where:
Base-Base interactions energy: -74.017
where: short stacking energy: -66.603
Base-Backbone interact. energy: -1.437
local terms energy: -145.863782
where:
bonds (distance) C4'-P energy: -46.663
bonds (distance) P-C4' energy: -43.856
flat angles C4'-P-C4' energy: -44.052
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -214.190671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.190671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.190671 (E_RNA)
where:
Base-Base interactions energy: -91.798
where: short stacking energy: -74.410
Base-Backbone interact. energy: 2.207
local terms energy: -124.599652
where:
bonds (distance) C4'-P energy: -35.023
bonds (distance) P-C4' energy: -43.718
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: 2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -884.558765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.558765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.558765 (E_RNA)
where:
Base-Base interactions energy: -624.140
where: short stacking energy: -252.054
Base-Backbone interact. energy: -0.777
local terms energy: -259.642299
where:
bonds (distance) C4'-P energy: -48.132
bonds (distance) P-C4' energy: -46.059
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -76.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -850.755266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.755266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.755266 (E_RNA)
where:
Base-Base interactions energy: -613.499
where: short stacking energy: -251.816
Base-Backbone interact. energy: -0.423
local terms energy: -236.832869
where:
bonds (distance) C4'-P energy: -41.721
bonds (distance) P-C4' energy: -41.863
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -74.013
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: 187
Temperature: 1.000000
Total energy: -846.601972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.601972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.601972 (E_RNA)
where:
Base-Base interactions energy: -597.864
where: short stacking energy: -252.573
Base-Backbone interact. energy: -0.956
local terms energy: -247.781317
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -44.597
flat angles C4'-P-C4' energy: -47.556
flat angles P-C4'-P energy: -34.950
tors. eta vs tors. theta energy: -77.484
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: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -762.801406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.801406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.801406 (E_RNA)
where:
Base-Base interactions energy: -517.440
where: short stacking energy: -210.492
Base-Backbone interact. energy: -1.924
local terms energy: -243.437800
where:
bonds (distance) C4'-P energy: -42.475
bonds (distance) P-C4' energy: -45.730
flat angles C4'-P-C4' energy: -49.997
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -71.117
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: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -720.365897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.365897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.365897 (E_RNA)
where:
Base-Base interactions energy: -499.946
where: short stacking energy: -220.475
Base-Backbone interact. energy: -1.398
local terms energy: -219.021803
where:
bonds (distance) C4'-P energy: -30.721
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -28.341
tors. eta vs tors. theta energy: -64.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -577.219752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.219752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.219752 (E_RNA)
where:
Base-Base interactions energy: -391.692
where: short stacking energy: -165.125
Base-Backbone interact. energy: -0.936
local terms energy: -184.591931
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -49.739
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -40.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -508.419945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.419945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.419945 (E_RNA)
where:
Base-Base interactions energy: -321.240
where: short stacking energy: -153.424
Base-Backbone interact. energy: -0.796
local terms energy: -186.383838
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -49.365
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -35.149
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: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -333.493515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.493515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.493515 (E_RNA)
where:
Base-Base interactions energy: -179.127
where: short stacking energy: -108.746
Base-Backbone interact. energy: 1.324
local terms energy: -155.690979
where:
bonds (distance) C4'-P energy: -45.675
bonds (distance) P-C4' energy: -41.960
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -12.976
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: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -213.306448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.306448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.306448 (E_RNA)
where:
Base-Base interactions energy: -78.145
where: short stacking energy: -76.344
Base-Backbone interact. energy: -0.267
local terms energy: -134.894100
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -32.314
flat angles C4'-P-C4' energy: -32.046
flat angles P-C4'-P energy: -27.662
tors. eta vs tors. theta energy: -11.312
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: 187
Temperature: 1.350000
Total energy: -230.718293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.718293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.718293 (E_RNA)
where:
Base-Base interactions energy: -89.917
where: short stacking energy: -56.918
Base-Backbone interact. energy: 0.361
local terms energy: -141.162559
where:
bonds (distance) C4'-P energy: -43.799
bonds (distance) P-C4' energy: -49.311
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -876.130611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.130611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.130611 (E_RNA)
where:
Base-Base interactions energy: -628.696
where: short stacking energy: -249.085
Base-Backbone interact. energy: -1.121
local terms energy: -246.313500
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -41.810
flat angles C4'-P-C4' energy: -53.420
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: -76.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -878.236713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.236713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.236713 (E_RNA)
where:
Base-Base interactions energy: -626.029
where: short stacking energy: -260.854
Base-Backbone interact. energy: -0.098
local terms energy: -252.109974
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -36.881
tors. eta vs tors. theta energy: -76.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -840.945111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.945111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.945111 (E_RNA)
where:
Base-Base interactions energy: -583.128
where: short stacking energy: -249.619
Base-Backbone interact. energy: -1.038
local terms energy: -256.779290
where:
bonds (distance) C4'-P energy: -44.630
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -77.220
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: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -739.549740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.549740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.549740 (E_RNA)
where:
Base-Base interactions energy: -507.724
where: short stacking energy: -219.028
Base-Backbone interact. energy: -3.564
local terms energy: -228.261770
where:
bonds (distance) C4'-P energy: -35.838
bonds (distance) P-C4' energy: -47.151
flat angles C4'-P-C4' energy: -50.107
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -69.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -724.608484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.608484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.608484 (E_RNA)
where:
Base-Base interactions energy: -505.551
where: short stacking energy: -207.362
Base-Backbone interact. energy: -1.060
local terms energy: -217.996666
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -43.691
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -54.808
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: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -589.816018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.816018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.816018 (E_RNA)
where:
Base-Base interactions energy: -406.444
where: short stacking energy: -161.655
Base-Backbone interact. energy: 2.339
local terms energy: -185.710917
where:
bonds (distance) C4'-P energy: -46.021
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -27.979
tors. eta vs tors. theta energy: -33.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -503.732955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.732955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.732955 (E_RNA)
where:
Base-Base interactions energy: -308.642
where: short stacking energy: -155.924
Base-Backbone interact. energy: -0.767
local terms energy: -194.323758
where:
bonds (distance) C4'-P energy: -31.603
bonds (distance) P-C4' energy: -42.318
flat angles C4'-P-C4' energy: -48.416
flat angles P-C4'-P energy: -29.996
tors. eta vs tors. theta energy: -41.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -270.484579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.484579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.484579 (E_RNA)
where:
Base-Base interactions energy: -125.110
where: short stacking energy: -64.842
Base-Backbone interact. energy: -1.780
local terms energy: -143.594421
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -49.495
flat angles C4'-P-C4' energy: -35.534
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -227.440567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.440567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.440567 (E_RNA)
where:
Base-Base interactions energy: -82.966
where: short stacking energy: -48.926
Base-Backbone interact. energy: 0.341
local terms energy: -144.815462
where:
bonds (distance) C4'-P energy: -46.718
bonds (distance) P-C4' energy: -39.756
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -25.488
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -190.474501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.474501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.474501 (E_RNA)
where:
Base-Base interactions energy: -61.377
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.840
local terms energy: -128.257913
where:
bonds (distance) C4'-P energy: -41.266
bonds (distance) P-C4' energy: -39.328
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: 10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -872.708794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.708794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.708794 (E_RNA)
where:
Base-Base interactions energy: -608.958
where: short stacking energy: -245.518
Base-Backbone interact. energy: -1.619
local terms energy: -262.132438
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -52.424
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -77.523
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: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -873.705494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.705494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.705494 (E_RNA)
where:
Base-Base interactions energy: -628.209
where: short stacking energy: -260.479
Base-Backbone interact. energy: -1.309
local terms energy: -244.186973
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -41.724
flat angles C4'-P-C4' energy: -54.245
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -75.040
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: 189
Temperature: 1.000000
Total energy: -864.952142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.952142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.952142 (E_RNA)
where:
Base-Base interactions energy: -605.465
where: short stacking energy: -251.162
Base-Backbone interact. energy: -0.655
local terms energy: -258.832649
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -52.679
flat angles P-C4'-P energy: -37.094
tors. eta vs tors. theta energy: -74.729
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: 189
Temperature: 1.050000
Total energy: -737.423914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.423914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.423914 (E_RNA)
where:
Base-Base interactions energy: -519.509
where: short stacking energy: -218.764
Base-Backbone interact. energy: -1.107
local terms energy: -216.807775
where:
bonds (distance) C4'-P energy: -34.108
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -38.981
flat angles P-C4'-P energy: -39.040
tors. eta vs tors. theta energy: -59.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -720.955736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.955736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.955736 (E_RNA)
where:
Base-Base interactions energy: -510.240
where: short stacking energy: -215.636
Base-Backbone interact. energy: -1.608
local terms energy: -209.107609
where:
bonds (distance) C4'-P energy: -29.824
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -63.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -590.805905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.805905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.805905 (E_RNA)
where:
Base-Base interactions energy: -382.126
where: short stacking energy: -162.379
Base-Backbone interact. energy: 0.544
local terms energy: -209.223893
where:
bonds (distance) C4'-P energy: -42.981
bonds (distance) P-C4' energy: -37.863
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -46.857
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: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -499.029102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.029102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.029102 (E_RNA)
where:
Base-Base interactions energy: -294.858
where: short stacking energy: -146.551
Base-Backbone interact. energy: -0.414
local terms energy: -203.757368
where:
bonds (distance) C4'-P energy: -42.518
bonds (distance) P-C4' energy: -41.207
flat angles C4'-P-C4' energy: -45.804
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -43.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -307.290508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.290508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.290508 (E_RNA)
where:
Base-Base interactions energy: -147.971
where: short stacking energy: -92.712
Base-Backbone interact. energy: -0.551
local terms energy: -158.768575
where:
bonds (distance) C4'-P energy: -29.594
bonds (distance) P-C4' energy: -50.423
flat angles C4'-P-C4' energy: -47.004
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -222.279746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.279746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.279746 (E_RNA)
where:
Base-Base interactions energy: -90.534
where: short stacking energy: -75.791
Base-Backbone interact. energy: -1.006
local terms energy: -130.739700
where:
bonds (distance) C4'-P energy: -35.862
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: 0.479
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: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -204.239692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.239692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.239692 (E_RNA)
where:
Base-Base interactions energy: -63.771
where: short stacking energy: -60.957
Base-Backbone interact. energy: -1.559
local terms energy: -138.909657
where:
bonds (distance) C4'-P energy: -39.564
bonds (distance) P-C4' energy: -36.408
flat angles C4'-P-C4' energy: -40.263
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: 0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -864.586856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.586856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.586856 (E_RNA)
where:
Base-Base interactions energy: -603.121
where: short stacking energy: -236.129
Base-Backbone interact. energy: -0.942
local terms energy: -260.523317
where:
bonds (distance) C4'-P energy: -45.572
bonds (distance) P-C4' energy: -52.192
flat angles C4'-P-C4' energy: -54.130
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -70.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -880.510308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.510308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.510308 (E_RNA)
where:
Base-Base interactions energy: -626.585
where: short stacking energy: -258.575
Base-Backbone interact. energy: -0.701
local terms energy: -253.224974
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -53.471
flat angles P-C4'-P energy: -32.282
tors. eta vs tors. theta energy: -77.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -835.656287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.656287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.656287 (E_RNA)
where:
Base-Base interactions energy: -589.648
where: short stacking energy: -243.670
Base-Backbone interact. energy: -0.663
local terms energy: -245.344559
where:
bonds (distance) C4'-P energy: -41.459
bonds (distance) P-C4' energy: -42.078
flat angles C4'-P-C4' energy: -50.430
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -70.457
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: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -738.840130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.840130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.840130 (E_RNA)
where:
Base-Base interactions energy: -517.762
where: short stacking energy: -222.221
Base-Backbone interact. energy: 0.130
local terms energy: -221.207636
where:
bonds (distance) C4'-P energy: -45.755
bonds (distance) P-C4' energy: -36.355
flat angles C4'-P-C4' energy: -48.094
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -58.834
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: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -737.737053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.737053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.737053 (E_RNA)
where:
Base-Base interactions energy: -513.339
where: short stacking energy: -214.024
Base-Backbone interact. energy: -0.113
local terms energy: -224.285176
where:
bonds (distance) C4'-P energy: -45.497
bonds (distance) P-C4' energy: -37.456
flat angles C4'-P-C4' energy: -50.639
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -67.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -557.709892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.709892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.709892 (E_RNA)
where:
Base-Base interactions energy: -364.361
where: short stacking energy: -163.236
Base-Backbone interact. energy: 3.101
local terms energy: -196.450496
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -41.227
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -40.365
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: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -484.188788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.188788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.188788 (E_RNA)
where:
Base-Base interactions energy: -296.566
where: short stacking energy: -152.591
Base-Backbone interact. energy: -0.950
local terms energy: -186.672940
where:
bonds (distance) C4'-P energy: -45.920
bonds (distance) P-C4' energy: -35.134
flat angles C4'-P-C4' energy: -41.547
flat angles P-C4'-P energy: -25.812
tors. eta vs tors. theta energy: -38.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -328.408057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.408057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.408057 (E_RNA)
where:
Base-Base interactions energy: -170.853
where: short stacking energy: -107.642
Base-Backbone interact. energy: -0.746
local terms energy: -156.809151
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -220.364788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.364788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.364788 (E_RNA)
where:
Base-Base interactions energy: -77.916
where: short stacking energy: -70.364
Base-Backbone interact. energy: -1.116
local terms energy: -141.332890
where:
bonds (distance) C4'-P energy: -39.117
bonds (distance) P-C4' energy: -48.284
flat angles C4'-P-C4' energy: -37.689
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: 4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -209.061640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.061640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.061640 (E_RNA)
where:
Base-Base interactions energy: -74.875
where: short stacking energy: -72.781
Base-Backbone interact. energy: 3.653
local terms energy: -137.839399
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -37.307
flat angles C4'-P-C4' energy: -33.405
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -876.316537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.316537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.316537 (E_RNA)
where:
Base-Base interactions energy: -610.701
where: short stacking energy: -261.809
Base-Backbone interact. energy: -0.475
local terms energy: -265.140143
where:
bonds (distance) C4'-P energy: -45.025
bonds (distance) P-C4' energy: -43.449
flat angles C4'-P-C4' energy: -59.277
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -78.818
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: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -894.730980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.730980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.730980 (E_RNA)
where:
Base-Base interactions energy: -645.162
where: short stacking energy: -265.518
Base-Backbone interact. energy: -0.377
local terms energy: -249.191864
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -42.420
flat angles C4'-P-C4' energy: -50.319
flat angles P-C4'-P energy: -34.892
tors. eta vs tors. theta energy: -75.504
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: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -839.416953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.416953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.416953 (E_RNA)
where:
Base-Base interactions energy: -586.749
where: short stacking energy: -240.626
Base-Backbone interact. energy: -0.354
local terms energy: -252.313435
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -42.430
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -40.917
tors. eta vs tors. theta energy: -69.291
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: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -735.217199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.217199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.217199 (E_RNA)
where:
Base-Base interactions energy: -514.837
where: short stacking energy: -201.095
Base-Backbone interact. energy: -0.038
local terms energy: -220.342446
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -43.326
flat angles C4'-P-C4' energy: -49.927
flat angles P-C4'-P energy: -23.064
tors. eta vs tors. theta energy: -63.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -722.864275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.864275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.864275 (E_RNA)
where:
Base-Base interactions energy: -505.655
where: short stacking energy: -209.077
Base-Backbone interact. energy: -0.172
local terms energy: -217.036513
where:
bonds (distance) C4'-P energy: -38.951
bonds (distance) P-C4' energy: -49.085
flat angles C4'-P-C4' energy: -45.570
flat angles P-C4'-P energy: -30.019
tors. eta vs tors. theta energy: -53.410
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: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -571.535442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.535442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.535442 (E_RNA)
where:
Base-Base interactions energy: -375.488
where: short stacking energy: -166.018
Base-Backbone interact. energy: -0.538
local terms energy: -195.509232
where:
bonds (distance) C4'-P energy: -35.296
bonds (distance) P-C4' energy: -52.770
flat angles C4'-P-C4' energy: -40.609
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -42.731
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: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -556.030291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.030291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.030291 (E_RNA)
where:
Base-Base interactions energy: -344.945
where: short stacking energy: -174.294
Base-Backbone interact. energy: -0.405
local terms energy: -210.680694
where:
bonds (distance) C4'-P energy: -47.596
bonds (distance) P-C4' energy: -41.152
flat angles C4'-P-C4' energy: -45.361
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -41.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -250.738022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.738022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.738022 (E_RNA)
where:
Base-Base interactions energy: -97.930
where: short stacking energy: -89.436
Base-Backbone interact. energy: 1.049
local terms energy: -153.857137
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -24.633
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -327.698002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.698002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.698002 (E_RNA)
where:
Base-Base interactions energy: -175.790
where: short stacking energy: -79.119
Base-Backbone interact. energy: -0.710
local terms energy: -151.197481
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -21.476
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -213.480174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480174 (E_RNA)
where:
Base-Base interactions energy: -88.254
where: short stacking energy: -56.757
Base-Backbone interact. energy: -0.821
local terms energy: -124.405885
where:
bonds (distance) C4'-P energy: -42.040
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -19.021
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: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -897.814645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.814645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.814645 (E_RNA)
where:
Base-Base interactions energy: -636.060
where: short stacking energy: -258.342
Base-Backbone interact. energy: 0.286
local terms energy: -262.041341
where:
bonds (distance) C4'-P energy: -43.372
bonds (distance) P-C4' energy: -47.458
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -40.501
tors. eta vs tors. theta energy: -77.247
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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -888.103247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.103247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.103247 (E_RNA)
where:
Base-Base interactions energy: -626.538
where: short stacking energy: -251.195
Base-Backbone interact. energy: 0.138
local terms energy: -261.703871
where:
bonds (distance) C4'-P energy: -52.648
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -51.437
flat angles P-C4'-P energy: -32.230
tors. eta vs tors. theta energy: -77.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -837.550330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.550330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.550330 (E_RNA)
where:
Base-Base interactions energy: -578.965
where: short stacking energy: -250.134
Base-Backbone interact. energy: -0.211
local terms energy: -258.374695
where:
bonds (distance) C4'-P energy: -43.321
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -53.523
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -76.683
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: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -746.531321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.531321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.531321 (E_RNA)
where:
Base-Base interactions energy: -506.645
where: short stacking energy: -208.687
Base-Backbone interact. energy: -1.438
local terms energy: -238.448537
where:
bonds (distance) C4'-P energy: -47.909
bonds (distance) P-C4' energy: -47.457
flat angles C4'-P-C4' energy: -49.988
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -58.214
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: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -624.746890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.746890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.746890 (E_RNA)
where:
Base-Base interactions energy: -412.032
where: short stacking energy: -171.094
Base-Backbone interact. energy: -0.641
local terms energy: -212.073492
where:
bonds (distance) C4'-P energy: -44.616
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -42.132
flat angles P-C4'-P energy: -27.029
tors. eta vs tors. theta energy: -47.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -704.430346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.430346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.430346 (E_RNA)
where:
Base-Base interactions energy: -493.888
where: short stacking energy: -202.143
Base-Backbone interact. energy: 0.299
local terms energy: -210.841149
where:
bonds (distance) C4'-P energy: -45.235
bonds (distance) P-C4' energy: -39.127
flat angles C4'-P-C4' energy: -49.237
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -50.532
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: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -527.370219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.370219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.370219 (E_RNA)
where:
Base-Base interactions energy: -326.175
where: short stacking energy: -159.335
Base-Backbone interact. energy: -1.036
local terms energy: -200.158994
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -43.659
flat angles C4'-P-C4' energy: -48.682
flat angles P-C4'-P energy: -24.081
tors. eta vs tors. theta energy: -43.140
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: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -236.336764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.336764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.336764 (E_RNA)
where:
Base-Base interactions energy: -107.085
where: short stacking energy: -75.446
Base-Backbone interact. energy: 1.924
local terms energy: -131.175338
where:
bonds (distance) C4'-P energy: -31.123
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -317.630322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.630322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.630322 (E_RNA)
where:
Base-Base interactions energy: -175.965
where: short stacking energy: -89.940
Base-Backbone interact. energy: 0.149
local terms energy: -141.814217
where:
bonds (distance) C4'-P energy: -44.634
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -211.168854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.168854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.168854 (E_RNA)
where:
Base-Base interactions energy: -71.424
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.090
local terms energy: -139.654235
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -45.474
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: 2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -896.878587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.878587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.878587 (E_RNA)
where:
Base-Base interactions energy: -630.870
where: short stacking energy: -259.879
Base-Backbone interact. energy: -0.489
local terms energy: -265.518806
where:
bonds (distance) C4'-P energy: -45.248
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -47.849
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -79.702
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: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -884.761302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.761302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.761302 (E_RNA)
where:
Base-Base interactions energy: -628.188
where: short stacking energy: -252.580
Base-Backbone interact. energy: -0.806
local terms energy: -255.767423
where:
bonds (distance) C4'-P energy: -38.704
bonds (distance) P-C4' energy: -45.673
flat angles C4'-P-C4' energy: -56.921
flat angles P-C4'-P energy: -37.985
tors. eta vs tors. theta energy: -76.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -836.642146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.642146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.642146 (E_RNA)
where:
Base-Base interactions energy: -587.799
where: short stacking energy: -246.894
Base-Backbone interact. energy: -0.122
local terms energy: -248.722068
where:
bonds (distance) C4'-P energy: -45.117
bonds (distance) P-C4' energy: -41.511
flat angles C4'-P-C4' energy: -51.827
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: -73.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -764.081651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.081651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.081651 (E_RNA)
where:
Base-Base interactions energy: -542.698
where: short stacking energy: -221.483
Base-Backbone interact. energy: -2.366
local terms energy: -219.017601
where:
bonds (distance) C4'-P energy: -42.561
bonds (distance) P-C4' energy: -38.723
flat angles C4'-P-C4' energy: -42.851
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -68.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -629.543545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.543545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.543545 (E_RNA)
where:
Base-Base interactions energy: -425.945
where: short stacking energy: -187.639
Base-Backbone interact. energy: -1.585
local terms energy: -202.012968
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -41.532
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: -47.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -690.146948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.146948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.146948 (E_RNA)
where:
Base-Base interactions energy: -496.194
where: short stacking energy: -203.073
Base-Backbone interact. energy: -1.133
local terms energy: -192.820733
where:
bonds (distance) C4'-P energy: -36.859
bonds (distance) P-C4' energy: -40.603
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -46.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -528.751714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.751714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.751714 (E_RNA)
where:
Base-Base interactions energy: -340.703
where: short stacking energy: -152.906
Base-Backbone interact. energy: -0.945
local terms energy: -187.104499
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -37.901
flat angles P-C4'-P energy: -34.271
tors. eta vs tors. theta energy: -32.644
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: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -333.831343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.831343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.831343 (E_RNA)
where:
Base-Base interactions energy: -175.868
where: short stacking energy: -103.907
Base-Backbone interact. energy: -0.391
local terms energy: -157.572184
where:
bonds (distance) C4'-P energy: -37.586
bonds (distance) P-C4' energy: -43.563
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -214.780927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.780927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.780927 (E_RNA)
where:
Base-Base interactions energy: -85.157
where: short stacking energy: -78.396
Base-Backbone interact. energy: -0.246
local terms energy: -129.377767
where:
bonds (distance) C4'-P energy: -43.084
bonds (distance) P-C4' energy: -40.564
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -24.612
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -207.959263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.959263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.959263 (E_RNA)
where:
Base-Base interactions energy: -76.924
where: short stacking energy: -65.442
Base-Backbone interact. energy: 5.945
local terms energy: -136.979810
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -46.596
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -884.486117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.486117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.486117 (E_RNA)
where:
Base-Base interactions energy: -628.199
where: short stacking energy: -259.480
Base-Backbone interact. energy: -0.147
local terms energy: -256.139640
where:
bonds (distance) C4'-P energy: -40.516
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -53.991
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -73.209
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: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -875.476958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.476958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.476958 (E_RNA)
where:
Base-Base interactions energy: -632.046
where: short stacking energy: -255.097
Base-Backbone interact. energy: -1.016
local terms energy: -242.414532
where:
bonds (distance) C4'-P energy: -40.715
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -55.065
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -76.001
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: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -835.545825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.545825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.545825 (E_RNA)
where:
Base-Base interactions energy: -590.354
where: short stacking energy: -250.476
Base-Backbone interact. energy: -0.399
local terms energy: -244.792849
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -43.158
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -71.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -736.501467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.501467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.501467 (E_RNA)
where:
Base-Base interactions energy: -520.331
where: short stacking energy: -220.287
Base-Backbone interact. energy: 1.439
local terms energy: -217.609552
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -45.046
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -65.339
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: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -683.661739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.661739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.661739 (E_RNA)
where:
Base-Base interactions energy: -469.450
where: short stacking energy: -193.615
Base-Backbone interact. energy: -0.464
local terms energy: -213.747436
where:
bonds (distance) C4'-P energy: -36.015
bonds (distance) P-C4' energy: -47.156
flat angles C4'-P-C4' energy: -48.631
flat angles P-C4'-P energy: -30.303
tors. eta vs tors. theta energy: -51.643
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: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -592.081782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.081782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.081782 (E_RNA)
where:
Base-Base interactions energy: -395.848
where: short stacking energy: -162.237
Base-Backbone interact. energy: -0.014
local terms energy: -196.219405
where:
bonds (distance) C4'-P energy: -40.447
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -45.231
flat angles P-C4'-P energy: -33.645
tors. eta vs tors. theta energy: -41.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -542.530445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.530445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.530445 (E_RNA)
where:
Base-Base interactions energy: -345.643
where: short stacking energy: -153.306
Base-Backbone interact. energy: -0.613
local terms energy: -196.274978
where:
bonds (distance) C4'-P energy: -39.293
bonds (distance) P-C4' energy: -45.489
flat angles C4'-P-C4' energy: -40.141
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -40.207
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: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -337.872067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.872067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.872067 (E_RNA)
where:
Base-Base interactions energy: -165.910
where: short stacking energy: -85.387
Base-Backbone interact. energy: -0.802
local terms energy: -171.159643
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -49.495
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -21.473
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: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -201.204986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.204986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.204986 (E_RNA)
where:
Base-Base interactions energy: -77.019
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.782
local terms energy: -123.404515
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: 5.077
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: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -198.819817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.819817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.819817 (E_RNA)
where:
Base-Base interactions energy: -77.088
where: short stacking energy: -59.560
Base-Backbone interact. energy: 0.719
local terms energy: -122.451065
where:
bonds (distance) C4'-P energy: -36.806
bonds (distance) P-C4' energy: -37.028
flat angles C4'-P-C4' energy: -35.528
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: 10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -894.817971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.817971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.817971 (E_RNA)
where:
Base-Base interactions energy: -642.060
where: short stacking energy: -275.164
Base-Backbone interact. energy: -0.269
local terms energy: -252.489109
where:
bonds (distance) C4'-P energy: -50.587
bonds (distance) P-C4' energy: -31.775
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -77.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -872.283919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.283919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.283919 (E_RNA)
where:
Base-Base interactions energy: -625.513
where: short stacking energy: -251.486
Base-Backbone interact. energy: -0.792
local terms energy: -245.978517
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -45.972
flat angles C4'-P-C4' energy: -51.890
flat angles P-C4'-P energy: -30.333
tors. eta vs tors. theta energy: -69.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -839.267864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.267864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.267864 (E_RNA)
where:
Base-Base interactions energy: -589.017
where: short stacking energy: -248.287
Base-Backbone interact. energy: -0.406
local terms energy: -249.844726
where:
bonds (distance) C4'-P energy: -41.273
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -45.256
tors. eta vs tors. theta energy: -70.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -705.815847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.815847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.815847 (E_RNA)
where:
Base-Base interactions energy: -479.674
where: short stacking energy: -192.734
Base-Backbone interact. energy: 0.814
local terms energy: -226.955733
where:
bonds (distance) C4'-P energy: -40.340
bonds (distance) P-C4' energy: -47.973
flat angles C4'-P-C4' energy: -53.370
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: -50.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -753.479632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.479632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.479632 (E_RNA)
where:
Base-Base interactions energy: -537.557
where: short stacking energy: -225.922
Base-Backbone interact. energy: -1.929
local terms energy: -213.993879
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -49.200
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -68.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -578.290423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.290423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.290423 (E_RNA)
where:
Base-Base interactions energy: -383.535
where: short stacking energy: -174.989
Base-Backbone interact. energy: -0.307
local terms energy: -194.448292
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -47.897
flat angles P-C4'-P energy: -27.633
tors. eta vs tors. theta energy: -49.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -535.014640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.014640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.014640 (E_RNA)
where:
Base-Base interactions energy: -335.747
where: short stacking energy: -158.714
Base-Backbone interact. energy: -0.731
local terms energy: -198.536420
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -42.118
flat angles C4'-P-C4' energy: -47.371
flat angles P-C4'-P energy: -33.408
tors. eta vs tors. theta energy: -45.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -367.324366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.324366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.324366 (E_RNA)
where:
Base-Base interactions energy: -218.554
where: short stacking energy: -96.929
Base-Backbone interact. energy: -0.051
local terms energy: -148.719747
where:
bonds (distance) C4'-P energy: -42.375
bonds (distance) P-C4' energy: -36.275
flat angles C4'-P-C4' energy: -35.209
flat angles P-C4'-P energy: -28.466
tors. eta vs tors. theta energy: -6.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -242.108992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.108992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.108992 (E_RNA)
where:
Base-Base interactions energy: -112.153
where: short stacking energy: -83.237
Base-Backbone interact. energy: 2.678
local terms energy: -132.633431
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -40.692
flat angles C4'-P-C4' energy: -30.915
flat angles P-C4'-P energy: -19.729
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: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -202.426286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.426286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.426286 (E_RNA)
where:
Base-Base interactions energy: -75.102
where: short stacking energy: -68.147
Base-Backbone interact. energy: 4.876
local terms energy: -132.200542
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -33.976
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -22.309
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: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -891.855519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.855519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.855519 (E_RNA)
where:
Base-Base interactions energy: -631.721
where: short stacking energy: -268.917
Base-Backbone interact. energy: -0.132
local terms energy: -260.002499
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -48.330
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -75.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -891.754382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.754382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.754382 (E_RNA)
where:
Base-Base interactions energy: -638.097
where: short stacking energy: -262.544
Base-Backbone interact. energy: -0.414
local terms energy: -253.243125
where:
bonds (distance) C4'-P energy: -48.813
bonds (distance) P-C4' energy: -44.209
flat angles C4'-P-C4' energy: -49.848
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -75.284
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: 3, replica: 9
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -835.592827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.592827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.592827 (E_RNA)
where:
Base-Base interactions energy: -591.712
where: short stacking energy: -243.303
Base-Backbone interact. energy: -0.386
local terms energy: -243.495072
where:
bonds (distance) C4'-P energy: -44.447
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -50.588
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -74.715
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: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -701.062863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.062863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.062863 (E_RNA)
where:
Base-Base interactions energy: -491.072
where: short stacking energy: -199.670
Base-Backbone interact. energy: 2.688
local terms energy: -212.679327
where:
bonds (distance) C4'-P energy: -33.239
bonds (distance) P-C4' energy: -48.494
flat angles C4'-P-C4' energy: -50.182
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: -51.737
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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -736.934835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.934835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.934835 (E_RNA)
where:
Base-Base interactions energy: -514.936
where: short stacking energy: -213.891
Base-Backbone interact. energy: 0.314
local terms energy: -222.312499
where:
bonds (distance) C4'-P energy: -44.279
bonds (distance) P-C4' energy: -39.941
flat angles C4'-P-C4' energy: -40.583
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -68.935
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -584.910181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.910181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.910181 (E_RNA)
where:
Base-Base interactions energy: -389.280
where: short stacking energy: -168.120
Base-Backbone interact. energy: -0.882
local terms energy: -194.747940
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -33.787
flat angles C4'-P-C4' energy: -45.971
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -48.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -543.677523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.677523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.677523 (E_RNA)
where:
Base-Base interactions energy: -355.258
where: short stacking energy: -149.827
Base-Backbone interact. energy: -0.756
local terms energy: -187.663949
where:
bonds (distance) C4'-P energy: -40.085
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -31.239
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: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -354.621616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.621616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.621616 (E_RNA)
where:
Base-Base interactions energy: -192.697
where: short stacking energy: -90.681
Base-Backbone interact. energy: -2.240
local terms energy: -159.684267
where:
bonds (distance) C4'-P energy: -49.544
bonds (distance) P-C4' energy: -39.140
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -212.914405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.914405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.914405 (E_RNA)
where:
Base-Base interactions energy: -79.112
where: short stacking energy: -60.572
Base-Backbone interact. energy: -2.854
local terms energy: -130.948132
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -33.155
flat angles C4'-P-C4' energy: -39.497
flat angles P-C4'-P energy: -21.210
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)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -202.948408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.948408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.948408 (E_RNA)
where:
Base-Base interactions energy: -57.678
where: short stacking energy: -52.158
Base-Backbone interact. energy: 0.529
local terms energy: -145.799501
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -43.156
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -30.609
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -898.389236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.389236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.389236 (E_RNA)
where:
Base-Base interactions energy: -629.240
where: short stacking energy: -268.445
Base-Backbone interact. energy: -0.059
local terms energy: -269.090026
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -38.547
tors. eta vs tors. theta energy: -80.093
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -884.984617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.984617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.984617 (E_RNA)
where:
Base-Base interactions energy: -623.693
where: short stacking energy: -241.504
Base-Backbone interact. energy: 0.068
local terms energy: -261.360219
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -73.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -843.309164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.309164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.309164 (E_RNA)
where:
Base-Base interactions energy: -600.011
where: short stacking energy: -253.573
Base-Backbone interact. energy: -0.832
local terms energy: -242.465834
where:
bonds (distance) C4'-P energy: -34.854
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -50.039
flat angles P-C4'-P energy: -38.114
tors. eta vs tors. theta energy: -77.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -737.354712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.354712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.354712 (E_RNA)
where:
Base-Base interactions energy: -530.688
where: short stacking energy: -207.080
Base-Backbone interact. energy: 1.976
local terms energy: -208.643009
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -50.152
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -61.211
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: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -695.681583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.681583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.681583 (E_RNA)
where:
Base-Base interactions energy: -487.258
where: short stacking energy: -202.969
Base-Backbone interact. energy: -0.619
local terms energy: -207.805157
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -40.152
flat angles C4'-P-C4' energy: -46.993
flat angles P-C4'-P energy: -28.720
tors. eta vs tors. theta energy: -51.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -586.445950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.445950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.445950 (E_RNA)
where:
Base-Base interactions energy: -402.893
where: short stacking energy: -174.380
Base-Backbone interact. energy: 1.864
local terms energy: -185.417244
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -34.694
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -44.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -550.700099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.700099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.700099 (E_RNA)
where:
Base-Base interactions energy: -343.982
where: short stacking energy: -150.258
Base-Backbone interact. energy: -0.943
local terms energy: -205.775115
where:
bonds (distance) C4'-P energy: -38.348
bonds (distance) P-C4' energy: -53.782
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -42.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -337.880943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.880943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.880943 (E_RNA)
where:
Base-Base interactions energy: -195.024
where: short stacking energy: -101.773
Base-Backbone interact. energy: -1.187
local terms energy: -141.670359
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -34.028
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -228.677554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.677554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.677554 (E_RNA)
where:
Base-Base interactions energy: -94.363
where: short stacking energy: -75.314
Base-Backbone interact. energy: -1.311
local terms energy: -133.003007
where:
bonds (distance) C4'-P energy: -40.594
bonds (distance) P-C4' energy: -44.992
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -215.689924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.689924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.689924 (E_RNA)
where:
Base-Base interactions energy: -106.162
where: short stacking energy: -80.730
Base-Backbone interact. energy: 5.616
local terms energy: -115.143674
where:
bonds (distance) C4'-P energy: -39.534
bonds (distance) P-C4' energy: -38.067
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -27.407
tors. eta vs tors. theta energy: 11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -895.266749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.266749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.266749 (E_RNA)
where:
Base-Base interactions energy: -634.267
where: short stacking energy: -268.217
Base-Backbone interact. energy: -0.191
local terms energy: -260.808549
where:
bonds (distance) C4'-P energy: -36.966
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -52.089
flat angles P-C4'-P energy: -38.429
tors. eta vs tors. theta energy: -83.093
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: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -889.215820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.215820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.215820 (E_RNA)
where:
Base-Base interactions energy: -632.058
where: short stacking energy: -264.915
Base-Backbone interact. energy: -1.000
local terms energy: -256.157033
where:
bonds (distance) C4'-P energy: -45.437
bonds (distance) P-C4' energy: -42.930
flat angles C4'-P-C4' energy: -53.442
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -78.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -826.050142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.050142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.050142 (E_RNA)
where:
Base-Base interactions energy: -577.978
where: short stacking energy: -231.266
Base-Backbone interact. energy: -0.080
local terms energy: -247.991677
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -49.235
flat angles C4'-P-C4' energy: -48.457
flat angles P-C4'-P energy: -33.333
tors. eta vs tors. theta energy: -72.011
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -756.372227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.372227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.372227 (E_RNA)
where:
Base-Base interactions energy: -545.159
where: short stacking energy: -217.095
Base-Backbone interact. energy: -1.528
local terms energy: -209.684967
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -41.725
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -68.843
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: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -713.957236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.957236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.957236 (E_RNA)
where:
Base-Base interactions energy: -499.741
where: short stacking energy: -201.629
Base-Backbone interact. energy: -0.016
local terms energy: -214.199786
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: -55.900
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: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -619.814914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.814914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.814914 (E_RNA)
where:
Base-Base interactions energy: -414.564
where: short stacking energy: -168.320
Base-Backbone interact. energy: -1.197
local terms energy: -204.054408
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -37.054
flat angles C4'-P-C4' energy: -41.426
flat angles P-C4'-P energy: -34.617
tors. eta vs tors. theta energy: -47.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -522.623188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.623188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.623188 (E_RNA)
where:
Base-Base interactions energy: -333.785
where: short stacking energy: -150.893
Base-Backbone interact. energy: -0.325
local terms energy: -188.512977
where:
bonds (distance) C4'-P energy: -38.136
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -40.798
flat angles P-C4'-P energy: -35.676
tors. eta vs tors. theta energy: -42.953
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: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -335.725905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.725905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.725905 (E_RNA)
where:
Base-Base interactions energy: -174.206
where: short stacking energy: -93.226
Base-Backbone interact. energy: -0.645
local terms energy: -160.875355
where:
bonds (distance) C4'-P energy: -35.006
bonds (distance) P-C4' energy: -44.002
flat angles C4'-P-C4' energy: -45.210
flat angles P-C4'-P energy: -24.456
tors. eta vs tors. theta energy: -12.201
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: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -250.461886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.461886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.461886 (E_RNA)
where:
Base-Base interactions energy: -135.725
where: short stacking energy: -93.674
Base-Backbone interact. energy: -0.305
local terms energy: -114.432157
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -39.976
flat angles P-C4'-P energy: -28.291
tors. eta vs tors. theta energy: 7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -207.510819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.510819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.510819 (E_RNA)
where:
Base-Base interactions energy: -93.314
where: short stacking energy: -58.858
Base-Backbone interact. energy: -1.485
local terms energy: -112.711116
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -27.447
flat angles C4'-P-C4' energy: -40.548
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: 2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -896.653932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.653932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.653932 (E_RNA)
where:
Base-Base interactions energy: -629.296
where: short stacking energy: -258.398
Base-Backbone interact. energy: -1.535
local terms energy: -265.822999
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -43.713
flat angles C4'-P-C4' energy: -57.833
flat angles P-C4'-P energy: -37.140
tors. eta vs tors. theta energy: -75.106
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: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -866.079105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.079105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.079105 (E_RNA)
where:
Base-Base interactions energy: -609.105
where: short stacking energy: -252.065
Base-Backbone interact. energy: 1.414
local terms energy: -258.388996
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -48.469
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: -72.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -834.280583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.280583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.280583 (E_RNA)
where:
Base-Base interactions energy: -588.649
where: short stacking energy: -243.048
Base-Backbone interact. energy: -0.080
local terms energy: -245.551280
where:
bonds (distance) C4'-P energy: -45.388
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -33.309
tors. eta vs tors. theta energy: -76.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -753.516903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.516903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.516903 (E_RNA)
where:
Base-Base interactions energy: -522.064
where: short stacking energy: -228.198
Base-Backbone interact. energy: -1.239
local terms energy: -230.214295
where:
bonds (distance) C4'-P energy: -38.911
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -54.097
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -66.270
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: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -699.948217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.948217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.948217 (E_RNA)
where:
Base-Base interactions energy: -487.533
where: short stacking energy: -206.650
Base-Backbone interact. energy: -1.449
local terms energy: -210.966161
where:
bonds (distance) C4'-P energy: -43.523
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -49.666
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -56.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -633.213073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.213073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.213073 (E_RNA)
where:
Base-Base interactions energy: -437.422
where: short stacking energy: -188.163
Base-Backbone interact. energy: -1.563
local terms energy: -194.227295
where:
bonds (distance) C4'-P energy: -37.817
bonds (distance) P-C4' energy: -40.678
flat angles C4'-P-C4' energy: -39.639
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -49.136
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: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -477.888145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.888145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.888145 (E_RNA)
where:
Base-Base interactions energy: -298.751
where: short stacking energy: -140.136
Base-Backbone interact. energy: -0.765
local terms energy: -178.372322
where:
bonds (distance) C4'-P energy: -42.117
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -27.829
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: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -332.558921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.558921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.558921 (E_RNA)
where:
Base-Base interactions energy: -173.933
where: short stacking energy: -108.345
Base-Backbone interact. energy: 2.363
local terms energy: -160.988563
where:
bonds (distance) C4'-P energy: -43.949
bonds (distance) P-C4' energy: -31.300
flat angles C4'-P-C4' energy: -41.776
flat angles P-C4'-P energy: -30.649
tors. eta vs tors. theta energy: -13.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -215.560494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.560494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.560494 (E_RNA)
where:
Base-Base interactions energy: -85.821
where: short stacking energy: -53.111
Base-Backbone interact. energy: -1.718
local terms energy: -128.021351
where:
bonds (distance) C4'-P energy: -39.443
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -36.322
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: 3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -202.049938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.049938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.049938 (E_RNA)
where:
Base-Base interactions energy: -64.362
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.479
local terms energy: -137.208989
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -18.656
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -901.238094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.238094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.238094 (E_RNA)
where:
Base-Base interactions energy: -626.231
where: short stacking energy: -256.180
Base-Backbone interact. energy: -0.259
local terms energy: -274.747612
where:
bonds (distance) C4'-P energy: -45.727
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -54.531
flat angles P-C4'-P energy: -43.934
tors. eta vs tors. theta energy: -78.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -884.509951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.509951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.509951 (E_RNA)
where:
Base-Base interactions energy: -635.988
where: short stacking energy: -258.025
Base-Backbone interact. energy: -0.304
local terms energy: -248.217808
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -45.695
flat angles C4'-P-C4' energy: -52.396
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -75.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -855.587740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.587740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.587740 (E_RNA)
where:
Base-Base interactions energy: -614.058
where: short stacking energy: -254.743
Base-Backbone interact. energy: -0.399
local terms energy: -241.130589
where:
bonds (distance) C4'-P energy: -35.800
bonds (distance) P-C4' energy: -42.943
flat angles C4'-P-C4' energy: -51.634
flat angles P-C4'-P energy: -35.424
tors. eta vs tors. theta energy: -75.330
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: 200
Temperature: 1.050000
Total energy: -765.648346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.648346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.648346 (E_RNA)
where:
Base-Base interactions energy: -521.750
where: short stacking energy: -214.412
Base-Backbone interact. energy: -1.356
local terms energy: -242.542160
where:
bonds (distance) C4'-P energy: -42.969
bonds (distance) P-C4' energy: -47.947
flat angles C4'-P-C4' energy: -48.308
flat angles P-C4'-P energy: -36.575
tors. eta vs tors. theta energy: -66.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -662.808192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.808192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.808192 (E_RNA)
where:
Base-Base interactions energy: -438.794
where: short stacking energy: -196.915
Base-Backbone interact. energy: -1.582
local terms energy: -222.432481
where:
bonds (distance) C4'-P energy: -38.952
bonds (distance) P-C4' energy: -42.659
flat angles C4'-P-C4' energy: -48.133
flat angles P-C4'-P energy: -37.955
tors. eta vs tors. theta energy: -54.734
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: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -667.408781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.408781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.408781 (E_RNA)
where:
Base-Base interactions energy: -473.599
where: short stacking energy: -192.052
Base-Backbone interact. energy: -1.125
local terms energy: -192.684921
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -36.413
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -52.575
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: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -499.093866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.093866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.093866 (E_RNA)
where:
Base-Base interactions energy: -314.208
where: short stacking energy: -163.444
Base-Backbone interact. energy: -0.495
local terms energy: -184.390990
where:
bonds (distance) C4'-P energy: -38.715
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -42.581
flat angles P-C4'-P energy: -26.478
tors. eta vs tors. theta energy: -44.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -330.954936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.954936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.954936 (E_RNA)
where:
Base-Base interactions energy: -190.127
where: short stacking energy: -122.546
Base-Backbone interact. energy: 1.451
local terms energy: -142.278861
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -42.662
flat angles C4'-P-C4' energy: -35.335
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -13.817
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: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -211.741643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.741643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.741643 (E_RNA)
where:
Base-Base interactions energy: -65.598
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.783
local terms energy: -145.360208
where:
bonds (distance) C4'-P energy: -36.929
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -36.310
flat angles P-C4'-P energy: -24.218
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: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -214.353870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.353870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.353870 (E_RNA)
where:
Base-Base interactions energy: -81.243
where: short stacking energy: -74.011
Base-Backbone interact. energy: 0.907
local terms energy: -134.017556
where:
bonds (distance) C4'-P energy: -46.422
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -24.408
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: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -892.202356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.202356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.202356 (E_RNA)
where:
Base-Base interactions energy: -639.004
where: short stacking energy: -259.538
Base-Backbone interact. energy: -0.333
local terms energy: -252.864589
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -36.041
flat angles C4'-P-C4' energy: -53.889
flat angles P-C4'-P energy: -42.235
tors. eta vs tors. theta energy: -76.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -880.380596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.380596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.380596 (E_RNA)
where:
Base-Base interactions energy: -627.643
where: short stacking energy: -259.244
Base-Backbone interact. energy: 0.984
local terms energy: -253.721233
where:
bonds (distance) C4'-P energy: -51.949
bonds (distance) P-C4' energy: -42.153
flat angles C4'-P-C4' energy: -46.879
flat angles P-C4'-P energy: -35.094
tors. eta vs tors. theta energy: -77.648
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: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -846.891108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.891108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.891108 (E_RNA)
where:
Base-Base interactions energy: -599.674
where: short stacking energy: -252.049
Base-Backbone interact. energy: -0.451
local terms energy: -246.765562
where:
bonds (distance) C4'-P energy: -44.550
bonds (distance) P-C4' energy: -41.617
flat angles C4'-P-C4' energy: -50.686
flat angles P-C4'-P energy: -41.136
tors. eta vs tors. theta energy: -68.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -754.969963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.969963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.969963 (E_RNA)
where:
Base-Base interactions energy: -522.258
where: short stacking energy: -226.700
Base-Backbone interact. energy: 0.143
local terms energy: -232.854977
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -41.563
flat angles C4'-P-C4' energy: -51.217
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -67.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -678.596612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.596612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.596612 (E_RNA)
where:
Base-Base interactions energy: -457.558
where: short stacking energy: -198.398
Base-Backbone interact. energy: -1.792
local terms energy: -219.246037
where:
bonds (distance) C4'-P energy: -39.681
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -50.504
flat angles P-C4'-P energy: -28.899
tors. eta vs tors. theta energy: -63.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -678.710696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.710696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.710696 (E_RNA)
where:
Base-Base interactions energy: -464.188
where: short stacking energy: -188.189
Base-Backbone interact. energy: -0.081
local terms energy: -214.442023
where:
bonds (distance) C4'-P energy: -38.067
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -47.046
flat angles P-C4'-P energy: -26.502
tors. eta vs tors. theta energy: -50.830
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: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -491.916905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.916905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.916905 (E_RNA)
where:
Base-Base interactions energy: -313.536
where: short stacking energy: -173.270
Base-Backbone interact. energy: -0.790
local terms energy: -177.591031
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -39.758
flat angles C4'-P-C4' energy: -41.035
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -43.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -317.724165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.724165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.724165 (E_RNA)
where:
Base-Base interactions energy: -185.271
where: short stacking energy: -95.498
Base-Backbone interact. energy: 1.351
local terms energy: -133.804757
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -40.494
flat angles C4'-P-C4' energy: -37.184
flat angles P-C4'-P energy: -20.952
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: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -202.590688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.590688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.590688 (E_RNA)
where:
Base-Base interactions energy: -78.829
where: short stacking energy: -61.534
Base-Backbone interact. energy: -1.950
local terms energy: -121.811032
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -48.882
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: 2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -188.924318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.924318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.924318 (E_RNA)
where:
Base-Base interactions energy: -53.423
where: short stacking energy: -49.375
Base-Backbone interact. energy: -1.903
local terms energy: -133.598044
where:
bonds (distance) C4'-P energy: -39.081
bonds (distance) P-C4' energy: -43.372
flat angles C4'-P-C4' energy: -39.084
flat angles P-C4'-P energy: -22.013
tors. eta vs tors. theta energy: 9.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -892.507153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.507153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.507153 (E_RNA)
where:
Base-Base interactions energy: -633.584
where: short stacking energy: -257.571
Base-Backbone interact. energy: -0.232
local terms energy: -258.691666
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -46.533
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -27.892
tors. eta vs tors. theta energy: -76.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -883.663098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.663098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.663098 (E_RNA)
where:
Base-Base interactions energy: -622.331
where: short stacking energy: -257.882
Base-Backbone interact. energy: -0.905
local terms energy: -260.427769
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -51.419
flat angles C4'-P-C4' energy: -53.369
flat angles P-C4'-P energy: -43.395
tors. eta vs tors. theta energy: -73.582
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: 202
Temperature: 1.000000
Total energy: -867.140637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.140637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.140637 (E_RNA)
where:
Base-Base interactions energy: -607.509
where: short stacking energy: -245.762
Base-Backbone interact. energy: -0.160
local terms energy: -259.472146
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -45.340
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -74.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -725.882230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.882230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.882230 (E_RNA)
where:
Base-Base interactions energy: -487.792
where: short stacking energy: -229.810
Base-Backbone interact. energy: -1.397
local terms energy: -236.692747
where:
bonds (distance) C4'-P energy: -53.594
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -41.154
flat angles P-C4'-P energy: -32.167
tors. eta vs tors. theta energy: -61.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -668.336494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.336494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.336494 (E_RNA)
where:
Base-Base interactions energy: -459.693
where: short stacking energy: -187.730
Base-Backbone interact. energy: -1.079
local terms energy: -207.564363
where:
bonds (distance) C4'-P energy: -39.881
bonds (distance) P-C4' energy: -37.769
flat angles C4'-P-C4' energy: -45.166
flat angles P-C4'-P energy: -30.550
tors. eta vs tors. theta energy: -54.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -648.151929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.151929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.151929 (E_RNA)
where:
Base-Base interactions energy: -447.893
where: short stacking energy: -194.880
Base-Backbone interact. energy: -0.772
local terms energy: -199.486696
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -47.919
flat angles P-C4'-P energy: -31.333
tors. eta vs tors. theta energy: -48.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -522.726753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.726753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.726753 (E_RNA)
where:
Base-Base interactions energy: -340.170
where: short stacking energy: -156.801
Base-Backbone interact. energy: 1.771
local terms energy: -184.327950
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -34.165
flat angles C4'-P-C4' energy: -41.136
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -328.597247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.597247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.597247 (E_RNA)
where:
Base-Base interactions energy: -172.346
where: short stacking energy: -97.475
Base-Backbone interact. energy: -1.620
local terms energy: -154.630996
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -45.761
flat angles C4'-P-C4' energy: -42.405
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -12.344
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: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -217.512819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.512819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.512819 (E_RNA)
where:
Base-Base interactions energy: -87.635
where: short stacking energy: -76.954
Base-Backbone interact. energy: 0.708
local terms energy: -130.585836
where:
bonds (distance) C4'-P energy: -36.596
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -32.288
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: 4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -204.811004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.811004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.811004 (E_RNA)
where:
Base-Base interactions energy: -82.621
where: short stacking energy: -56.065
Base-Backbone interact. energy: -1.359
local terms energy: -120.830688
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -16.308
tors. eta vs tors. theta energy: 10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -894.837217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.837217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.837217 (E_RNA)
where:
Base-Base interactions energy: -654.194
where: short stacking energy: -263.553
Base-Backbone interact. energy: 0.344
local terms energy: -240.987282
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -48.715
flat angles C4'-P-C4' energy: -49.791
flat angles P-C4'-P energy: -27.612
tors. eta vs tors. theta energy: -76.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -858.256968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.256968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.256968 (E_RNA)
where:
Base-Base interactions energy: -610.788
where: short stacking energy: -260.403
Base-Backbone interact. energy: -0.670
local terms energy: -246.798064
where:
bonds (distance) C4'-P energy: -39.194
bonds (distance) P-C4' energy: -45.879
flat angles C4'-P-C4' energy: -52.846
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -78.237
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: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -857.295743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.295743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.295743 (E_RNA)
where:
Base-Base interactions energy: -617.319
where: short stacking energy: -247.590
Base-Backbone interact. energy: 1.206
local terms energy: -241.182670
where:
bonds (distance) C4'-P energy: -44.598
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -52.764
flat angles P-C4'-P energy: -35.724
tors. eta vs tors. theta energy: -72.106
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -758.743030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.743030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.743030 (E_RNA)
where:
Base-Base interactions energy: -526.332
where: short stacking energy: -238.551
Base-Backbone interact. energy: -1.315
local terms energy: -231.096033
where:
bonds (distance) C4'-P energy: -39.026
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -53.135
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -73.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -654.157387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.157387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.157387 (E_RNA)
where:
Base-Base interactions energy: -452.625
where: short stacking energy: -194.063
Base-Backbone interact. energy: -0.431
local terms energy: -201.101480
where:
bonds (distance) C4'-P energy: -37.016
bonds (distance) P-C4' energy: -35.219
flat angles C4'-P-C4' energy: -50.445
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -56.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -672.450355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.450355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.450355 (E_RNA)
where:
Base-Base interactions energy: -471.859
where: short stacking energy: -193.405
Base-Backbone interact. energy: -0.146
local terms energy: -200.444501
where:
bonds (distance) C4'-P energy: -41.803
bonds (distance) P-C4' energy: -42.284
flat angles C4'-P-C4' energy: -38.110
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -52.250
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: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -504.617414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.617414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.617414 (E_RNA)
where:
Base-Base interactions energy: -322.945
where: short stacking energy: -155.759
Base-Backbone interact. energy: 3.237
local terms energy: -184.908935
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -40.926
flat angles C4'-P-C4' energy: -46.380
flat angles P-C4'-P energy: -25.473
tors. eta vs tors. theta energy: -36.496
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: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -299.822244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.822244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.822244 (E_RNA)
where:
Base-Base interactions energy: -162.104
where: short stacking energy: -95.636
Base-Backbone interact. energy: -1.099
local terms energy: -136.618629
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -43.692
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -21.680
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -200.960747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.960747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.960747 (E_RNA)
where:
Base-Base interactions energy: -65.204
where: short stacking energy: -61.882
Base-Backbone interact. energy: 0.922
local terms energy: -136.678681
where:
bonds (distance) C4'-P energy: -35.900
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -28.181
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -243.776961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.776961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.776961 (E_RNA)
where:
Base-Base interactions energy: -107.754
where: short stacking energy: -75.390
Base-Backbone interact. energy: -0.922
local terms energy: -135.100583
where:
bonds (distance) C4'-P energy: -28.441
bonds (distance) P-C4' energy: -42.695
flat angles C4'-P-C4' energy: -37.956
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -0.554
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: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -900.678328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.678328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.678328 (E_RNA)
where:
Base-Base interactions energy: -643.848
where: short stacking energy: -262.851
Base-Backbone interact. energy: -0.119
local terms energy: -256.711184
where:
bonds (distance) C4'-P energy: -43.705
bonds (distance) P-C4' energy: -51.129
flat angles C4'-P-C4' energy: -47.990
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -80.455
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: 204
Temperature: 0.950000
Total energy: -856.529512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.529512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.529512 (E_RNA)
where:
Base-Base interactions energy: -604.543
where: short stacking energy: -254.207
Base-Backbone interact. energy: -0.335
local terms energy: -251.650824
where:
bonds (distance) C4'-P energy: -42.500
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -51.907
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -71.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -869.822738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.822738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.822738 (E_RNA)
where:
Base-Base interactions energy: -614.477
where: short stacking energy: -252.865
Base-Backbone interact. energy: -0.168
local terms energy: -255.178352
where:
bonds (distance) C4'-P energy: -41.735
bonds (distance) P-C4' energy: -44.598
flat angles C4'-P-C4' energy: -52.472
flat angles P-C4'-P energy: -37.612
tors. eta vs tors. theta energy: -78.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -774.895555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.895555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.895555 (E_RNA)
where:
Base-Base interactions energy: -548.540
where: short stacking energy: -233.911
Base-Backbone interact. energy: -2.029
local terms energy: -224.327170
where:
bonds (distance) C4'-P energy: -39.583
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -52.636
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -69.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -663.616286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.616286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.616286 (E_RNA)
where:
Base-Base interactions energy: -455.026
where: short stacking energy: -207.820
Base-Backbone interact. energy: -1.004
local terms energy: -207.586546
where:
bonds (distance) C4'-P energy: -42.943
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -41.853
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -47.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -633.015448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.015448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.015448 (E_RNA)
where:
Base-Base interactions energy: -415.090
where: short stacking energy: -171.070
Base-Backbone interact. energy: 0.267
local terms energy: -218.193102
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -43.713
flat angles C4'-P-C4' energy: -49.920
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -46.927
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: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -494.194118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.194118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.194118 (E_RNA)
where:
Base-Base interactions energy: -309.812
where: short stacking energy: -162.018
Base-Backbone interact. energy: -0.407
local terms energy: -183.974766
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -37.643
flat angles C4'-P-C4' energy: -43.506
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -40.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -314.355057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.355057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.355057 (E_RNA)
where:
Base-Base interactions energy: -169.300
where: short stacking energy: -79.516
Base-Backbone interact. energy: -1.205
local terms energy: -143.849836
where:
bonds (distance) C4'-P energy: -40.126
bonds (distance) P-C4' energy: -37.882
flat angles C4'-P-C4' energy: -40.849
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -312.410033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.410033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.410033 (E_RNA)
where:
Base-Base interactions energy: -164.547
where: short stacking energy: -95.858
Base-Backbone interact. energy: -0.118
local terms energy: -147.745536
where:
bonds (distance) C4'-P energy: -39.316
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -208.237305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.237305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.237305 (E_RNA)
where:
Base-Base interactions energy: -89.307
where: short stacking energy: -52.630
Base-Backbone interact. energy: -1.419
local terms energy: -117.511304
where:
bonds (distance) C4'-P energy: -39.893
bonds (distance) P-C4' energy: -40.420
flat angles C4'-P-C4' energy: -35.666
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -895.432645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.432645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.432645 (E_RNA)
where:
Base-Base interactions energy: -629.336
where: short stacking energy: -255.082
Base-Backbone interact. energy: -0.238
local terms energy: -265.858779
where:
bonds (distance) C4'-P energy: -45.865
bonds (distance) P-C4' energy: -45.200
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -35.268
tors. eta vs tors. theta energy: -81.748
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: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -867.553666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.553666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.553666 (E_RNA)
where:
Base-Base interactions energy: -605.945
where: short stacking energy: -252.771
Base-Backbone interact. energy: -0.952
local terms energy: -260.657121
where:
bonds (distance) C4'-P energy: -47.177
bonds (distance) P-C4' energy: -41.462
flat angles C4'-P-C4' energy: -58.651
flat angles P-C4'-P energy: -37.950
tors. eta vs tors. theta energy: -75.416
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: 205
Temperature: 1.000000
Total energy: -830.711302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.711302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.711302 (E_RNA)
where:
Base-Base interactions energy: -585.253
where: short stacking energy: -247.295
Base-Backbone interact. energy: -0.047
local terms energy: -245.411993
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -71.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -774.778624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.778624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.778624 (E_RNA)
where:
Base-Base interactions energy: -542.586
where: short stacking energy: -221.757
Base-Backbone interact. energy: -1.158
local terms energy: -231.034332
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -47.690
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -70.891
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: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -686.795506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.795506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.795506 (E_RNA)
where:
Base-Base interactions energy: -467.301
where: short stacking energy: -208.758
Base-Backbone interact. energy: -0.577
local terms energy: -218.917880
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -44.183
flat angles C4'-P-C4' energy: -53.335
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: -52.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -653.914489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.914489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.914489 (E_RNA)
where:
Base-Base interactions energy: -444.905
where: short stacking energy: -182.617
Base-Backbone interact. energy: 0.090
local terms energy: -209.099458
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -34.486
flat angles C4'-P-C4' energy: -45.290
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -60.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -512.168326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.168326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.168326 (E_RNA)
where:
Base-Base interactions energy: -311.263
where: short stacking energy: -164.122
Base-Backbone interact. energy: 1.227
local terms energy: -202.132179
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -40.197
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -48.711
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: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -367.354517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.354517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.354517 (E_RNA)
where:
Base-Base interactions energy: -204.909
where: short stacking energy: -93.654
Base-Backbone interact. energy: -0.590
local terms energy: -161.855589
where:
bonds (distance) C4'-P energy: -47.550
bonds (distance) P-C4' energy: -38.846
flat angles C4'-P-C4' energy: -35.054
flat angles P-C4'-P energy: -25.435
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -338.373976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.373976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.373976 (E_RNA)
where:
Base-Base interactions energy: -202.910
where: short stacking energy: -104.742
Base-Backbone interact. energy: -1.524
local terms energy: -133.940164
where:
bonds (distance) C4'-P energy: -34.755
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -208.584248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.584248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.584248 (E_RNA)
where:
Base-Base interactions energy: -72.084
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.492
local terms energy: -136.008447
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -24.845
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -893.208573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.208573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.208573 (E_RNA)
where:
Base-Base interactions energy: -645.817
where: short stacking energy: -255.617
Base-Backbone interact. energy: -0.450
local terms energy: -246.941520
where:
bonds (distance) C4'-P energy: -43.738
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -73.782
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: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -867.607881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.607881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.607881 (E_RNA)
where:
Base-Base interactions energy: -614.613
where: short stacking energy: -255.951
Base-Backbone interact. energy: -0.095
local terms energy: -252.899875
where:
bonds (distance) C4'-P energy: -42.523
bonds (distance) P-C4' energy: -44.670
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -78.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -846.569533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.569533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.569533 (E_RNA)
where:
Base-Base interactions energy: -604.453
where: short stacking energy: -257.198
Base-Backbone interact. energy: 0.070
local terms energy: -242.186726
where:
bonds (distance) C4'-P energy: -30.850
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -39.711
tors. eta vs tors. theta energy: -79.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -753.180955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.180955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.180955 (E_RNA)
where:
Base-Base interactions energy: -524.377
where: short stacking energy: -204.837
Base-Backbone interact. energy: -2.076
local terms energy: -226.727684
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -43.782
flat angles C4'-P-C4' energy: -43.138
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -65.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -695.177372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.177372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.177372 (E_RNA)
where:
Base-Base interactions energy: -475.190
where: short stacking energy: -201.738
Base-Backbone interact. energy: -0.574
local terms energy: -219.412819
where:
bonds (distance) C4'-P energy: -41.061
bonds (distance) P-C4' energy: -39.078
flat angles C4'-P-C4' energy: -51.709
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -53.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -651.895749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.895749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.895749 (E_RNA)
where:
Base-Base interactions energy: -452.373
where: short stacking energy: -177.039
Base-Backbone interact. energy: 0.992
local terms energy: -200.515203
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -46.869
flat angles C4'-P-C4' energy: -45.819
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -50.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -467.886864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.886864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.886864 (E_RNA)
where:
Base-Base interactions energy: -287.782
where: short stacking energy: -160.024
Base-Backbone interact. energy: -0.403
local terms energy: -179.701863
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -51.699
flat angles C4'-P-C4' energy: -45.414
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -36.060
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: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -393.657095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.657095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.657095 (E_RNA)
where:
Base-Base interactions energy: -244.076
where: short stacking energy: -128.027
Base-Backbone interact. energy: 3.836
local terms energy: -153.417393
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -37.768
flat angles C4'-P-C4' energy: -35.937
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -376.726021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.726021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.726021 (E_RNA)
where:
Base-Base interactions energy: -220.893
where: short stacking energy: -110.160
Base-Backbone interact. energy: -0.677
local terms energy: -155.155215
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -34.092
flat angles C4'-P-C4' energy: -38.815
flat angles P-C4'-P energy: -31.309
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -194.257648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.257648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.257648 (E_RNA)
where:
Base-Base interactions energy: -64.830
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.243
local terms energy: -129.184664
where:
bonds (distance) C4'-P energy: -42.116
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -26.820
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: 4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -897.330353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.330353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.330353 (E_RNA)
where:
Base-Base interactions energy: -635.952
where: short stacking energy: -244.374
Base-Backbone interact. energy: -0.892
local terms energy: -260.486263
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -32.277
tors. eta vs tors. theta energy: -75.944
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: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -879.581058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.581058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.581058 (E_RNA)
where:
Base-Base interactions energy: -623.603
where: short stacking energy: -257.277
Base-Backbone interact. energy: -0.653
local terms energy: -255.325169
where:
bonds (distance) C4'-P energy: -41.489
bonds (distance) P-C4' energy: -47.764
flat angles C4'-P-C4' energy: -55.845
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -76.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -841.966287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.966287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.966287 (E_RNA)
where:
Base-Base interactions energy: -581.287
where: short stacking energy: -243.243
Base-Backbone interact. energy: 0.447
local terms energy: -261.126049
where:
bonds (distance) C4'-P energy: -40.020
bonds (distance) P-C4' energy: -49.829
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -71.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -763.583590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.583590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.583590 (E_RNA)
where:
Base-Base interactions energy: -526.629
where: short stacking energy: -224.407
Base-Backbone interact. energy: -1.181
local terms energy: -235.773725
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -41.729
flat angles C4'-P-C4' energy: -49.384
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -68.398
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: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -685.760763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.760763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.760763 (E_RNA)
where:
Base-Base interactions energy: -475.244
where: short stacking energy: -191.321
Base-Backbone interact. energy: -0.470
local terms energy: -210.046415
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -43.458
flat angles C4'-P-C4' energy: -45.055
flat angles P-C4'-P energy: -33.730
tors. eta vs tors. theta energy: -50.880
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: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -662.842687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.842687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.842687 (E_RNA)
where:
Base-Base interactions energy: -449.196
where: short stacking energy: -186.374
Base-Backbone interact. energy: -0.727
local terms energy: -212.919558
where:
bonds (distance) C4'-P energy: -39.102
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -44.264
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -60.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -491.586534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.586534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.586534 (E_RNA)
where:
Base-Base interactions energy: -305.513
where: short stacking energy: -166.762
Base-Backbone interact. energy: -0.076
local terms energy: -185.996752
where:
bonds (distance) C4'-P energy: -31.223
bonds (distance) P-C4' energy: -44.441
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -31.122
tors. eta vs tors. theta energy: -40.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -406.881963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.881963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.881963 (E_RNA)
where:
Base-Base interactions energy: -248.964
where: short stacking energy: -137.505
Base-Backbone interact. energy: -1.041
local terms energy: -156.876478
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -36.303
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -23.341
tors. eta vs tors. theta energy: -28.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -374.779865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.779865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.779865 (E_RNA)
where:
Base-Base interactions energy: -232.154
where: short stacking energy: -115.901
Base-Backbone interact. energy: 2.089
local terms energy: -144.715480
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -31.883
flat angles C4'-P-C4' energy: -38.516
flat angles P-C4'-P energy: -30.070
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: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -191.985172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.985172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.985172 (E_RNA)
where:
Base-Base interactions energy: -68.077
where: short stacking energy: -36.750
Base-Backbone interact. energy: -1.554
local terms energy: -122.354609
where:
bonds (distance) C4'-P energy: -34.314
bonds (distance) P-C4' energy: -41.821
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -22.748
tors. eta vs tors. theta energy: 11.046
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: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -891.589113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.589113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.589113 (E_RNA)
where:
Base-Base interactions energy: -646.155
where: short stacking energy: -244.366
Base-Backbone interact. energy: -1.313
local terms energy: -244.120379
where:
bonds (distance) C4'-P energy: -43.593
bonds (distance) P-C4' energy: -48.191
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -28.507
tors. eta vs tors. theta energy: -72.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -896.961625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.961625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.961625 (E_RNA)
where:
Base-Base interactions energy: -636.875
where: short stacking energy: -263.895
Base-Backbone interact. energy: -0.669
local terms energy: -259.416714
where:
bonds (distance) C4'-P energy: -48.217
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -81.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -843.118679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.118679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.118679 (E_RNA)
where:
Base-Base interactions energy: -596.455
where: short stacking energy: -245.003
Base-Backbone interact. energy: -0.443
local terms energy: -246.220907
where:
bonds (distance) C4'-P energy: -42.703
bonds (distance) P-C4' energy: -46.382
flat angles C4'-P-C4' energy: -50.597
flat angles P-C4'-P energy: -33.000
tors. eta vs tors. theta energy: -73.540
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -768.441572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.441572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.441572 (E_RNA)
where:
Base-Base interactions energy: -518.967
where: short stacking energy: -217.644
Base-Backbone interact. energy: -4.018
local terms energy: -245.456590
where:
bonds (distance) C4'-P energy: -46.622
bonds (distance) P-C4' energy: -41.527
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -71.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -620.452162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.452162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.452162 (E_RNA)
where:
Base-Base interactions energy: -437.230
where: short stacking energy: -182.107
Base-Backbone interact. energy: 0.016
local terms energy: -183.238042
where:
bonds (distance) C4'-P energy: -33.087
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -43.072
flat angles P-C4'-P energy: -28.391
tors. eta vs tors. theta energy: -50.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -678.632606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.632606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.632606 (E_RNA)
where:
Base-Base interactions energy: -486.822
where: short stacking energy: -193.037
Base-Backbone interact. energy: 0.811
local terms energy: -192.621312
where:
bonds (distance) C4'-P energy: -37.422
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -41.412
flat angles P-C4'-P energy: -28.062
tors. eta vs tors. theta energy: -47.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -521.746083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.746083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.746083 (E_RNA)
where:
Base-Base interactions energy: -328.276
where: short stacking energy: -165.718
Base-Backbone interact. energy: -1.027
local terms energy: -192.443034
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -47.706
flat angles P-C4'-P energy: -27.825
tors. eta vs tors. theta energy: -46.178
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -339.526636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.526636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.526636 (E_RNA)
where:
Base-Base interactions energy: -181.352
where: short stacking energy: -102.076
Base-Backbone interact. energy: -1.064
local terms energy: -157.110731
where:
bonds (distance) C4'-P energy: -46.755
bonds (distance) P-C4' energy: -40.413
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -396.366545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.366545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.366545 (E_RNA)
where:
Base-Base interactions energy: -242.840
where: short stacking energy: -116.165
Base-Backbone interact. energy: 1.436
local terms energy: -154.963138
where:
bonds (distance) C4'-P energy: -42.727
bonds (distance) P-C4' energy: -37.164
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -201.364258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.364258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.364258 (E_RNA)
where:
Base-Base interactions energy: -60.036
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.379
local terms energy: -140.949960
where:
bonds (distance) C4'-P energy: -41.148
bonds (distance) P-C4' energy: -38.853
flat angles C4'-P-C4' energy: -43.459
flat angles P-C4'-P energy: -23.877
tors. eta vs tors. theta energy: 6.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -875.916388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.916388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.916388 (E_RNA)
where:
Base-Base interactions energy: -625.738
where: short stacking energy: -245.751
Base-Backbone interact. energy: -0.820
local terms energy: -249.357864
where:
bonds (distance) C4'-P energy: -45.496
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -49.503
flat angles P-C4'-P energy: -32.704
tors. eta vs tors. theta energy: -71.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -902.942289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.942289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.942289 (E_RNA)
where:
Base-Base interactions energy: -630.668
where: short stacking energy: -262.009
Base-Backbone interact. energy: -0.121
local terms energy: -272.153747
where:
bonds (distance) C4'-P energy: -46.433
bonds (distance) P-C4' energy: -49.725
flat angles C4'-P-C4' energy: -55.040
flat angles P-C4'-P energy: -43.256
tors. eta vs tors. theta energy: -77.699
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: 209
Temperature: 1.000000
Total energy: -852.287354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.287354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.287354 (E_RNA)
where:
Base-Base interactions energy: -587.994
where: short stacking energy: -253.576
Base-Backbone interact. energy: 0.047
local terms energy: -264.340256
where:
bonds (distance) C4'-P energy: -48.188
bonds (distance) P-C4' energy: -44.735
flat angles C4'-P-C4' energy: -55.592
flat angles P-C4'-P energy: -39.144
tors. eta vs tors. theta energy: -76.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -787.046117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.046117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.046117 (E_RNA)
where:
Base-Base interactions energy: -542.754
where: short stacking energy: -235.572
Base-Backbone interact. energy: -0.669
local terms energy: -243.623587
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -50.051
flat angles P-C4'-P energy: -32.801
tors. eta vs tors. theta energy: -71.722
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: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -631.189422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.189422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.189422 (E_RNA)
where:
Base-Base interactions energy: -414.138
where: short stacking energy: -183.777
Base-Backbone interact. energy: -1.444
local terms energy: -215.607712
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -44.098
flat angles C4'-P-C4' energy: -47.387
flat angles P-C4'-P energy: -30.980
tors. eta vs tors. theta energy: -51.953
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: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -635.270604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.270604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.270604 (E_RNA)
where:
Base-Base interactions energy: -438.307
where: short stacking energy: -170.170
Base-Backbone interact. energy: -2.287
local terms energy: -194.676896
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -46.934
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -39.477
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: 7, replica: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -542.294548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.294548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.294548 (E_RNA)
where:
Base-Base interactions energy: -345.103
where: short stacking energy: -163.830
Base-Backbone interact. energy: -0.613
local terms energy: -196.578336
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -41.274
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -42.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -406.038795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.038795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.038795 (E_RNA)
where:
Base-Base interactions energy: -240.510
where: short stacking energy: -114.269
Base-Backbone interact. energy: -0.307
local terms energy: -165.221936
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -48.863
flat angles C4'-P-C4' energy: -39.076
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -310.893289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.893289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.893289 (E_RNA)
where:
Base-Base interactions energy: -171.184
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.599
local terms energy: -139.110309
where:
bonds (distance) C4'-P energy: -33.180
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -8.381
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: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -201.669393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.669393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.669393 (E_RNA)
where:
Base-Base interactions energy: -68.832
where: short stacking energy: -67.719
Base-Backbone interact. energy: -1.789
local terms energy: -131.048749
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -38.637
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -901.129844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.129844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.129844 (E_RNA)
where:
Base-Base interactions energy: -644.446
where: short stacking energy: -257.877
Base-Backbone interact. energy: -0.730
local terms energy: -255.953807
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -44.923
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -78.388
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: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -871.052948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.052948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.052948 (E_RNA)
where:
Base-Base interactions energy: -626.928
where: short stacking energy: -237.635
Base-Backbone interact. energy: -0.892
local terms energy: -243.232151
where:
bonds (distance) C4'-P energy: -44.062
bonds (distance) P-C4' energy: -45.225
flat angles C4'-P-C4' energy: -49.359
flat angles P-C4'-P energy: -34.749
tors. eta vs tors. theta energy: -69.837
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: 210
Temperature: 1.000000
Total energy: -860.025090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.025090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.025090 (E_RNA)
where:
Base-Base interactions energy: -600.698
where: short stacking energy: -258.305
Base-Backbone interact. energy: -0.392
local terms energy: -258.934846
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -45.669
flat angles P-C4'-P energy: -43.663
tors. eta vs tors. theta energy: -79.503
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: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -781.136025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.136025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.136025 (E_RNA)
where:
Base-Base interactions energy: -546.037
where: short stacking energy: -215.495
Base-Backbone interact. energy: -2.246
local terms energy: -232.852419
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -50.243
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -69.688
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: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -621.541201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.541201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.541201 (E_RNA)
where:
Base-Base interactions energy: -404.130
where: short stacking energy: -193.811
Base-Backbone interact. energy: -0.184
local terms energy: -217.228102
where:
bonds (distance) C4'-P energy: -42.332
bonds (distance) P-C4' energy: -43.863
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -33.960
tors. eta vs tors. theta energy: -51.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -624.553770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.553770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.553770 (E_RNA)
where:
Base-Base interactions energy: -438.171
where: short stacking energy: -179.846
Base-Backbone interact. energy: 0.804
local terms energy: -187.186583
where:
bonds (distance) C4'-P energy: -43.266
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -46.944
flat angles P-C4'-P energy: -25.972
tors. eta vs tors. theta energy: -35.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -548.149835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.149835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.149835 (E_RNA)
where:
Base-Base interactions energy: -351.007
where: short stacking energy: -169.934
Base-Backbone interact. energy: -1.663
local terms energy: -195.479779
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -48.119
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -51.494
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: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -436.125982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.125982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.125982 (E_RNA)
where:
Base-Base interactions energy: -269.100
where: short stacking energy: -122.929
Base-Backbone interact. energy: 0.030
local terms energy: -167.055946
where:
bonds (distance) C4'-P energy: -34.220
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -38.506
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -24.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -316.718336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.718336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.718336 (E_RNA)
where:
Base-Base interactions energy: -186.235
where: short stacking energy: -91.528
Base-Backbone interact. energy: 0.986
local terms energy: -131.469148
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -198.758847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.758847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.758847 (E_RNA)
where:
Base-Base interactions energy: -70.699
where: short stacking energy: -68.756
Base-Backbone interact. energy: -1.014
local terms energy: -127.045820
where:
bonds (distance) C4'-P energy: -44.310
bonds (distance) P-C4' energy: -31.773
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -899.793789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.793789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.793789 (E_RNA)
where:
Base-Base interactions energy: -631.010
where: short stacking energy: -249.913
Base-Backbone interact. energy: -0.246
local terms energy: -268.537969
where:
bonds (distance) C4'-P energy: -48.018
bonds (distance) P-C4' energy: -47.713
flat angles C4'-P-C4' energy: -56.481
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -77.846
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: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -877.734461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.734461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.734461 (E_RNA)
where:
Base-Base interactions energy: -630.263
where: short stacking energy: -243.916
Base-Backbone interact. energy: -0.389
local terms energy: -247.081758
where:
bonds (distance) C4'-P energy: -41.588
bonds (distance) P-C4' energy: -43.402
flat angles C4'-P-C4' energy: -54.629
flat angles P-C4'-P energy: -35.668
tors. eta vs tors. theta energy: -71.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -860.189186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.189186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.189186 (E_RNA)
where:
Base-Base interactions energy: -612.680
where: short stacking energy: -255.873
Base-Backbone interact. energy: -0.061
local terms energy: -247.448458
where:
bonds (distance) C4'-P energy: -35.130
bonds (distance) P-C4' energy: -48.329
flat angles C4'-P-C4' energy: -56.945
flat angles P-C4'-P energy: -32.951
tors. eta vs tors. theta energy: -74.093
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: 211
Temperature: 1.050000
Total energy: -789.463149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.463149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.463149 (E_RNA)
where:
Base-Base interactions energy: -556.815
where: short stacking energy: -242.613
Base-Backbone interact. energy: -0.234
local terms energy: -232.413310
where:
bonds (distance) C4'-P energy: -38.973
bonds (distance) P-C4' energy: -37.353
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -77.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -608.925177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.925177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.925177 (E_RNA)
where:
Base-Base interactions energy: -401.178
where: short stacking energy: -169.606
Base-Backbone interact. energy: -2.242
local terms energy: -205.505455
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -44.208
flat angles P-C4'-P energy: -20.173
tors. eta vs tors. theta energy: -52.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -622.834051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.834051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.834051 (E_RNA)
where:
Base-Base interactions energy: -418.709
where: short stacking energy: -182.552
Base-Backbone interact. energy: -0.917
local terms energy: -203.207399
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -45.946
flat angles C4'-P-C4' energy: -47.339
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -42.236
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: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -533.148007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.148007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.148007 (E_RNA)
where:
Base-Base interactions energy: -349.070
where: short stacking energy: -177.935
Base-Backbone interact. energy: -0.446
local terms energy: -183.631864
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -39.735
flat angles C4'-P-C4' energy: -41.018
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -41.047
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: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -430.930561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.930561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.930561 (E_RNA)
where:
Base-Base interactions energy: -254.805
where: short stacking energy: -132.871
Base-Backbone interact. energy: -1.891
local terms energy: -174.235264
where:
bonds (distance) C4'-P energy: -35.263
bonds (distance) P-C4' energy: -45.558
flat angles C4'-P-C4' energy: -43.936
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -283.722472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.722472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.722472 (E_RNA)
where:
Base-Base interactions energy: -138.543
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.922
local terms energy: -144.257986
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -34.434
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -208.338593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.338593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.338593 (E_RNA)
where:
Base-Base interactions energy: -83.748
where: short stacking energy: -68.262
Base-Backbone interact. energy: -0.478
local terms energy: -124.112959
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -34.073
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -26.707
tors. eta vs tors. theta energy: 5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -903.659120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.659120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.659120 (E_RNA)
where:
Base-Base interactions energy: -646.164
where: short stacking energy: -251.201
Base-Backbone interact. energy: -0.179
local terms energy: -257.316056
where:
bonds (distance) C4'-P energy: -46.253
bonds (distance) P-C4' energy: -51.922
flat angles C4'-P-C4' energy: -48.613
flat angles P-C4'-P energy: -33.014
tors. eta vs tors. theta energy: -77.514
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: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -878.502829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.502829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.502829 (E_RNA)
where:
Base-Base interactions energy: -636.081
where: short stacking energy: -247.306
Base-Backbone interact. energy: -0.181
local terms energy: -242.240614
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -47.519
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -75.397
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: 212
Temperature: 1.000000
Total energy: -862.977084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.977084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.977084 (E_RNA)
where:
Base-Base interactions energy: -619.526
where: short stacking energy: -264.328
Base-Backbone interact. energy: -0.007
local terms energy: -243.444214
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -39.307
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -39.789
tors. eta vs tors. theta energy: -77.029
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -770.500324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.500324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.500324 (E_RNA)
where:
Base-Base interactions energy: -535.679
where: short stacking energy: -220.771
Base-Backbone interact. energy: -0.770
local terms energy: -234.051594
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -36.125
flat angles C4'-P-C4' energy: -44.711
flat angles P-C4'-P energy: -37.062
tors. eta vs tors. theta energy: -70.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -617.738156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.738156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.738156 (E_RNA)
where:
Base-Base interactions energy: -410.319
where: short stacking energy: -183.373
Base-Backbone interact. energy: -0.164
local terms energy: -207.254885
where:
bonds (distance) C4'-P energy: -35.607
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -28.611
tors. eta vs tors. theta energy: -49.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -610.800720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.800720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.800720 (E_RNA)
where:
Base-Base interactions energy: -400.996
where: short stacking energy: -174.028
Base-Backbone interact. energy: -0.419
local terms energy: -209.386045
where:
bonds (distance) C4'-P energy: -34.697
bonds (distance) P-C4' energy: -51.280
flat angles C4'-P-C4' energy: -43.578
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -53.472
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: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -533.958800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.958800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.958800 (E_RNA)
where:
Base-Base interactions energy: -350.788
where: short stacking energy: -169.940
Base-Backbone interact. energy: -0.444
local terms energy: -182.727295
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -36.607
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -39.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -419.091574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.091574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.091574 (E_RNA)
where:
Base-Base interactions energy: -245.614
where: short stacking energy: -112.276
Base-Backbone interact. energy: -0.108
local terms energy: -173.369123
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -51.643
flat angles C4'-P-C4' energy: -41.608
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -230.288517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.288517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.288517 (E_RNA)
where:
Base-Base interactions energy: -81.422
where: short stacking energy: -63.774
Base-Backbone interact. energy: -0.156
local terms energy: -148.710748
where:
bonds (distance) C4'-P energy: -40.972
bonds (distance) P-C4' energy: -50.508
flat angles C4'-P-C4' energy: -39.519
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: 6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -207.023250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.023250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.023250 (E_RNA)
where:
Base-Base interactions energy: -73.244
where: short stacking energy: -68.365
Base-Backbone interact. energy: 0.686
local terms energy: -134.466199
where:
bonds (distance) C4'-P energy: -34.672
bonds (distance) P-C4' energy: -40.218
flat angles C4'-P-C4' energy: -36.672
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: 1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -908.254293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.254293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.254293 (E_RNA)
where:
Base-Base interactions energy: -638.798
where: short stacking energy: -259.263
Base-Backbone interact. energy: -0.834
local terms energy: -268.622971
where:
bonds (distance) C4'-P energy: -46.304
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -56.957
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -78.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -875.799489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.799489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.799489 (E_RNA)
where:
Base-Base interactions energy: -625.780
where: short stacking energy: -250.159
Base-Backbone interact. energy: -0.574
local terms energy: -249.445713
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -41.105
flat angles C4'-P-C4' energy: -56.113
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -77.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -866.440397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.440397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.440397 (E_RNA)
where:
Base-Base interactions energy: -631.831
where: short stacking energy: -263.231
Base-Backbone interact. energy: 0.714
local terms energy: -235.323785
where:
bonds (distance) C4'-P energy: -40.823
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -45.382
flat angles P-C4'-P energy: -31.207
tors. eta vs tors. theta energy: -78.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -774.792052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.792052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.792052 (E_RNA)
where:
Base-Base interactions energy: -543.067
where: short stacking energy: -219.639
Base-Backbone interact. energy: -0.116
local terms energy: -231.609336
where:
bonds (distance) C4'-P energy: -46.346
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -53.041
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -67.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -623.874009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.874009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.874009 (E_RNA)
where:
Base-Base interactions energy: -423.396
where: short stacking energy: -181.082
Base-Backbone interact. energy: -0.283
local terms energy: -200.194832
where:
bonds (distance) C4'-P energy: -47.051
bonds (distance) P-C4' energy: -41.423
flat angles C4'-P-C4' energy: -41.403
flat angles P-C4'-P energy: -29.229
tors. eta vs tors. theta energy: -41.089
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: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -590.732647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.732647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.732647 (E_RNA)
where:
Base-Base interactions energy: -393.345
where: short stacking energy: -170.008
Base-Backbone interact. energy: -0.240
local terms energy: -197.148538
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -43.666
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -545.841916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.841916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.841916 (E_RNA)
where:
Base-Base interactions energy: -331.005
where: short stacking energy: -163.960
Base-Backbone interact. energy: -0.126
local terms energy: -214.711271
where:
bonds (distance) C4'-P energy: -43.401
bonds (distance) P-C4' energy: -43.014
flat angles C4'-P-C4' energy: -40.745
flat angles P-C4'-P energy: -37.545
tors. eta vs tors. theta energy: -50.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -469.811182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.811182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.811182 (E_RNA)
where:
Base-Base interactions energy: -302.874
where: short stacking energy: -134.568
Base-Backbone interact. energy: -1.535
local terms energy: -165.402562
where:
bonds (distance) C4'-P energy: -40.256
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -39.076
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -27.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -222.640778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.640778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.640778 (E_RNA)
where:
Base-Base interactions energy: -84.109
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.687
local terms energy: -137.845070
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -32.680
flat angles C4'-P-C4' energy: -31.936
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -0.124
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: 213
Temperature: 1.350000
Total energy: -202.689110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.689110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.689110 (E_RNA)
where:
Base-Base interactions energy: -70.479
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.444
local terms energy: -131.765565
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -40.281
flat angles C4'-P-C4' energy: -42.516
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -902.421199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.421199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.421199 (E_RNA)
where:
Base-Base interactions energy: -634.181
where: short stacking energy: -263.509
Base-Backbone interact. energy: -0.443
local terms energy: -267.797424
where:
bonds (distance) C4'-P energy: -51.723
bonds (distance) P-C4' energy: -49.618
flat angles C4'-P-C4' energy: -54.893
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -79.494
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: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -882.502293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.502293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.502293 (E_RNA)
where:
Base-Base interactions energy: -624.350
where: short stacking energy: -260.069
Base-Backbone interact. energy: -0.133
local terms energy: -258.018991
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -49.572
flat angles C4'-P-C4' energy: -54.262
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -76.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -871.078572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.078572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.078572 (E_RNA)
where:
Base-Base interactions energy: -605.073
where: short stacking energy: -261.942
Base-Backbone interact. energy: -0.930
local terms energy: -265.075715
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -45.057
flat angles C4'-P-C4' energy: -45.792
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -84.591
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: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -772.002337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.002337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.002337 (E_RNA)
where:
Base-Base interactions energy: -537.653
where: short stacking energy: -222.921
Base-Backbone interact. energy: 2.167
local terms energy: -236.515968
where:
bonds (distance) C4'-P energy: -47.499
bonds (distance) P-C4' energy: -52.630
flat angles C4'-P-C4' energy: -42.418
flat angles P-C4'-P energy: -24.109
tors. eta vs tors. theta energy: -69.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -643.739360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.739360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.739360 (E_RNA)
where:
Base-Base interactions energy: -426.993
where: short stacking energy: -182.009
Base-Backbone interact. energy: 0.826
local terms energy: -217.572694
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -54.496
flat angles C4'-P-C4' energy: -43.985
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -46.333
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: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -579.186478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.186478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.186478 (E_RNA)
where:
Base-Base interactions energy: -399.119
where: short stacking energy: -171.564
Base-Backbone interact. energy: 1.570
local terms energy: -181.638377
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -45.072
flat angles C4'-P-C4' energy: -41.805
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -37.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -510.117197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.117197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.117197 (E_RNA)
where:
Base-Base interactions energy: -328.519
where: short stacking energy: -160.589
Base-Backbone interact. energy: -2.004
local terms energy: -179.593841
where:
bonds (distance) C4'-P energy: -31.897
bonds (distance) P-C4' energy: -46.336
flat angles C4'-P-C4' energy: -39.399
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -42.705
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: 2
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -509.752799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.752799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.752799 (E_RNA)
where:
Base-Base interactions energy: -340.471
where: short stacking energy: -169.213
Base-Backbone interact. energy: -0.166
local terms energy: -169.116015
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -47.707
flat angles C4'-P-C4' energy: -38.845
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -39.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -214.486526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.486526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.486526 (E_RNA)
where:
Base-Base interactions energy: -62.524
where: short stacking energy: -53.838
Base-Backbone interact. energy: 2.331
local terms energy: -154.293602
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -50.391
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -225.769277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.769277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.769277 (E_RNA)
where:
Base-Base interactions energy: -91.193
where: short stacking energy: -76.794
Base-Backbone interact. energy: 0.740
local terms energy: -135.316488
where:
bonds (distance) C4'-P energy: -42.618
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -912.096465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.096465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.096465 (E_RNA)
where:
Base-Base interactions energy: -657.378
where: short stacking energy: -272.834
Base-Backbone interact. energy: -0.352
local terms energy: -254.366628
where:
bonds (distance) C4'-P energy: -37.970
bonds (distance) P-C4' energy: -38.663
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -39.538
tors. eta vs tors. theta energy: -79.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -889.446467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.446467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.446467 (E_RNA)
where:
Base-Base interactions energy: -645.617
where: short stacking energy: -258.390
Base-Backbone interact. energy: 0.275
local terms energy: -244.104712
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -864.238144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.238144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.238144 (E_RNA)
where:
Base-Base interactions energy: -610.326
where: short stacking energy: -249.664
Base-Backbone interact. energy: -0.137
local terms energy: -253.774591
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -46.450
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -40.360
tors. eta vs tors. theta energy: -79.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -764.908121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.908121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.908121 (E_RNA)
where:
Base-Base interactions energy: -528.081
where: short stacking energy: -238.588
Base-Backbone interact. energy: -2.335
local terms energy: -234.492366
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -48.090
flat angles C4'-P-C4' energy: -45.284
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: -72.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -642.422298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.422298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.422298 (E_RNA)
where:
Base-Base interactions energy: -429.286
where: short stacking energy: -179.549
Base-Backbone interact. energy: 0.099
local terms energy: -213.234760
where:
bonds (distance) C4'-P energy: -45.142
bonds (distance) P-C4' energy: -43.910
flat angles C4'-P-C4' energy: -47.086
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -47.132
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: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -596.304506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.304506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.304506 (E_RNA)
where:
Base-Base interactions energy: -397.060
where: short stacking energy: -176.363
Base-Backbone interact. energy: -1.233
local terms energy: -198.011445
where:
bonds (distance) C4'-P energy: -40.479
bonds (distance) P-C4' energy: -36.789
flat angles C4'-P-C4' energy: -47.840
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -54.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -539.381624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.381624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.381624 (E_RNA)
where:
Base-Base interactions energy: -353.253
where: short stacking energy: -164.127
Base-Backbone interact. energy: -1.470
local terms energy: -184.659118
where:
bonds (distance) C4'-P energy: -40.007
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -41.890
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -40.922
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: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -498.627745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.627745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.627745 (E_RNA)
where:
Base-Base interactions energy: -301.651
where: short stacking energy: -147.569
Base-Backbone interact. energy: -0.455
local terms energy: -196.521795
where:
bonds (distance) C4'-P energy: -32.403
bonds (distance) P-C4' energy: -48.173
flat angles C4'-P-C4' energy: -41.128
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -43.433
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: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -254.673788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.673788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.673788 (E_RNA)
where:
Base-Base interactions energy: -114.569
where: short stacking energy: -77.635
Base-Backbone interact. energy: -0.707
local terms energy: -139.397866
where:
bonds (distance) C4'-P energy: -41.233
bonds (distance) P-C4' energy: -34.969
flat angles C4'-P-C4' energy: -30.784
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -8.247
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -190.203096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.203096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.203096 (E_RNA)
where:
Base-Base interactions energy: -62.358
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.477
local terms energy: -127.368351
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -38.397
flat angles C4'-P-C4' energy: -29.372
flat angles P-C4'-P energy: -30.730
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -899.975792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.975792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.975792 (E_RNA)
where:
Base-Base interactions energy: -649.971
where: short stacking energy: -254.168
Base-Backbone interact. energy: -0.520
local terms energy: -249.484176
where:
bonds (distance) C4'-P energy: -42.946
bonds (distance) P-C4' energy: -35.971
flat angles C4'-P-C4' energy: -53.327
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -77.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -886.334435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.334435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.334435 (E_RNA)
where:
Base-Base interactions energy: -630.496
where: short stacking energy: -249.909
Base-Backbone interact. energy: 0.272
local terms energy: -256.110348
where:
bonds (distance) C4'-P energy: -45.976
bonds (distance) P-C4' energy: -46.692
flat angles C4'-P-C4' energy: -52.953
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -75.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -883.705440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.705440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.705440 (E_RNA)
where:
Base-Base interactions energy: -616.032
where: short stacking energy: -258.497
Base-Backbone interact. energy: 0.184
local terms energy: -267.856926
where:
bonds (distance) C4'-P energy: -48.969
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -50.946
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -84.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -762.953009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.953009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.953009 (E_RNA)
where:
Base-Base interactions energy: -533.410
where: short stacking energy: -235.095
Base-Backbone interact. energy: -0.259
local terms energy: -229.283572
where:
bonds (distance) C4'-P energy: -33.531
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -48.442
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -69.541
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: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -602.751376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.751376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.751376 (E_RNA)
where:
Base-Base interactions energy: -389.935
where: short stacking energy: -171.326
Base-Backbone interact. energy: -0.384
local terms energy: -212.432939
where:
bonds (distance) C4'-P energy: -48.011
bonds (distance) P-C4' energy: -44.081
flat angles C4'-P-C4' energy: -45.848
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -45.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -636.153994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.153994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.153994 (E_RNA)
where:
Base-Base interactions energy: -426.773
where: short stacking energy: -183.314
Base-Backbone interact. energy: -0.030
local terms energy: -209.351288
where:
bonds (distance) C4'-P energy: -30.939
bonds (distance) P-C4' energy: -45.346
flat angles C4'-P-C4' energy: -46.862
flat angles P-C4'-P energy: -28.483
tors. eta vs tors. theta energy: -57.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -532.487841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.487841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.487841 (E_RNA)
where:
Base-Base interactions energy: -365.740
where: short stacking energy: -161.343
Base-Backbone interact. energy: -1.274
local terms energy: -165.474602
where:
bonds (distance) C4'-P energy: -46.228
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -32.121
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: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -524.188596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.188596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.188596 (E_RNA)
where:
Base-Base interactions energy: -340.869
where: short stacking energy: -166.913
Base-Backbone interact. energy: -1.001
local terms energy: -182.318724
where:
bonds (distance) C4'-P energy: -44.916
bonds (distance) P-C4' energy: -36.190
flat angles C4'-P-C4' energy: -37.948
flat angles P-C4'-P energy: -25.168
tors. eta vs tors. theta energy: -38.096
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: 216
Temperature: 1.300000
Total energy: -263.728756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.728756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.728756 (E_RNA)
where:
Base-Base interactions energy: -114.197
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.290
local terms energy: -149.241506
where:
bonds (distance) C4'-P energy: -41.534
bonds (distance) P-C4' energy: -41.869
flat angles C4'-P-C4' energy: -43.346
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -240.680025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.680025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.680025 (E_RNA)
where:
Base-Base interactions energy: -99.366
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.820
local terms energy: -140.493584
where:
bonds (distance) C4'-P energy: -40.923
bonds (distance) P-C4' energy: -45.494
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -0.116
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: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -898.985701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.985701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.985701 (E_RNA)
where:
Base-Base interactions energy: -644.337
where: short stacking energy: -252.917
Base-Backbone interact. energy: -0.405
local terms energy: -254.243690
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -40.839
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -34.479
tors. eta vs tors. theta energy: -78.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -900.592134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.592134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.592134 (E_RNA)
where:
Base-Base interactions energy: -631.921
where: short stacking energy: -274.700
Base-Backbone interact. energy: -0.634
local terms energy: -268.037035
where:
bonds (distance) C4'-P energy: -45.998
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -56.520
flat angles P-C4'-P energy: -39.166
tors. eta vs tors. theta energy: -85.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -876.525329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.525329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.525329 (E_RNA)
where:
Base-Base interactions energy: -620.748
where: short stacking energy: -255.096
Base-Backbone interact. energy: 0.237
local terms energy: -256.014282
where:
bonds (distance) C4'-P energy: -34.763
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -54.268
flat angles P-C4'-P energy: -39.498
tors. eta vs tors. theta energy: -77.064
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -782.136874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.136874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.136874 (E_RNA)
where:
Base-Base interactions energy: -533.637
where: short stacking energy: -222.855
Base-Backbone interact. energy: -5.049
local terms energy: -243.450891
where:
bonds (distance) C4'-P energy: -48.388
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -51.030
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -69.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -623.074589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.074589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.074589 (E_RNA)
where:
Base-Base interactions energy: -422.643
where: short stacking energy: -183.223
Base-Backbone interact. energy: 1.961
local terms energy: -202.392235
where:
bonds (distance) C4'-P energy: -39.736
bonds (distance) P-C4' energy: -48.401
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -46.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -629.610325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.610325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.610325 (E_RNA)
where:
Base-Base interactions energy: -424.025
where: short stacking energy: -175.724
Base-Backbone interact. energy: 1.155
local terms energy: -206.740163
where:
bonds (distance) C4'-P energy: -44.236
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -48.044
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: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -529.692009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.692009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.692009 (E_RNA)
where:
Base-Base interactions energy: -348.604
where: short stacking energy: -153.429
Base-Backbone interact. energy: -2.180
local terms energy: -178.907936
where:
bonds (distance) C4'-P energy: -40.723
bonds (distance) P-C4' energy: -34.384
flat angles C4'-P-C4' energy: -41.393
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -32.771
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: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -491.627473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.627473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.627473 (E_RNA)
where:
Base-Base interactions energy: -305.688
where: short stacking energy: -142.822
Base-Backbone interact. energy: -1.229
local terms energy: -184.710330
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -46.088
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -24.719
tors. eta vs tors. theta energy: -33.027
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: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -249.181757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.181757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.181757 (E_RNA)
where:
Base-Base interactions energy: -133.050
where: short stacking energy: -94.355
Base-Backbone interact. energy: -0.300
local terms energy: -115.831305
where:
bonds (distance) C4'-P energy: -41.889
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -28.590
flat angles P-C4'-P energy: 0.152
tors. eta vs tors. theta energy: 2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -187.676842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.676842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.676842 (E_RNA)
where:
Base-Base interactions energy: -72.741
where: short stacking energy: -50.930
Base-Backbone interact. energy: -2.871
local terms energy: -112.065303
where:
bonds (distance) C4'-P energy: -36.359
bonds (distance) P-C4' energy: -35.422
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -23.256
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: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -905.332345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.332345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.332345 (E_RNA)
where:
Base-Base interactions energy: -635.206
where: short stacking energy: -272.777
Base-Backbone interact. energy: -0.678
local terms energy: -269.448553
where:
bonds (distance) C4'-P energy: -45.361
bonds (distance) P-C4' energy: -46.324
flat angles C4'-P-C4' energy: -53.905
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -83.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -869.232715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.232715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.232715 (E_RNA)
where:
Base-Base interactions energy: -628.258
where: short stacking energy: -248.143
Base-Backbone interact. energy: -0.421
local terms energy: -240.553887
where:
bonds (distance) C4'-P energy: -46.128
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -45.910
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -76.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -860.037319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.037319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.037319 (E_RNA)
where:
Base-Base interactions energy: -596.597
where: short stacking energy: -235.881
Base-Backbone interact. energy: -0.182
local terms energy: -263.258351
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -77.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -788.870047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.870047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.870047 (E_RNA)
where:
Base-Base interactions energy: -547.621
where: short stacking energy: -235.912
Base-Backbone interact. energy: 0.651
local terms energy: -241.899897
where:
bonds (distance) C4'-P energy: -49.780
bonds (distance) P-C4' energy: -39.466
flat angles C4'-P-C4' energy: -52.366
flat angles P-C4'-P energy: -30.843
tors. eta vs tors. theta energy: -69.444
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: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -660.183413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.183413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.183413 (E_RNA)
where:
Base-Base interactions energy: -451.791
where: short stacking energy: -193.193
Base-Backbone interact. energy: -0.391
local terms energy: -208.001386
where:
bonds (distance) C4'-P energy: -40.960
bonds (distance) P-C4' energy: -33.255
flat angles C4'-P-C4' energy: -47.477
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -55.844
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: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -675.284285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.284285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.284285 (E_RNA)
where:
Base-Base interactions energy: -460.019
where: short stacking energy: -209.121
Base-Backbone interact. energy: -0.759
local terms energy: -214.506803
where:
bonds (distance) C4'-P energy: -41.844
bonds (distance) P-C4' energy: -45.240
flat angles C4'-P-C4' energy: -47.484
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -59.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -541.351319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.351319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.351319 (E_RNA)
where:
Base-Base interactions energy: -351.751
where: short stacking energy: -171.206
Base-Backbone interact. energy: -0.219
local terms energy: -189.381325
where:
bonds (distance) C4'-P energy: -44.728
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -45.906
flat angles P-C4'-P energy: -29.047
tors. eta vs tors. theta energy: -39.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -543.416638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.416638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.416638 (E_RNA)
where:
Base-Base interactions energy: -357.687
where: short stacking energy: -152.272
Base-Backbone interact. energy: -0.826
local terms energy: -184.904128
where:
bonds (distance) C4'-P energy: -42.884
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -38.356
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -45.344
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: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -243.885680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.885680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.885680 (E_RNA)
where:
Base-Base interactions energy: -104.911
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.239
local terms energy: -138.735857
where:
bonds (distance) C4'-P energy: -36.430
bonds (distance) P-C4' energy: -38.515
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -221.999834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.999834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.999834 (E_RNA)
where:
Base-Base interactions energy: -82.036
where: short stacking energy: -52.785
Base-Backbone interact. energy: -1.837
local terms energy: -138.127123
where:
bonds (distance) C4'-P energy: -50.938
bonds (distance) P-C4' energy: -32.216
flat angles C4'-P-C4' energy: -32.581
flat angles P-C4'-P energy: -24.987
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: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -923.308689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.308689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.308689 (E_RNA)
where:
Base-Base interactions energy: -651.747
where: short stacking energy: -290.495
Base-Backbone interact. energy: -0.253
local terms energy: -271.309453
where:
bonds (distance) C4'-P energy: -47.346
bonds (distance) P-C4' energy: -47.340
flat angles C4'-P-C4' energy: -49.276
flat angles P-C4'-P energy: -41.337
tors. eta vs tors. theta energy: -86.010
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: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -922.069026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.069026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.069026 (E_RNA)
where:
Base-Base interactions energy: -644.666
where: short stacking energy: -285.762
Base-Backbone interact. energy: -0.353
local terms energy: -277.050620
where:
bonds (distance) C4'-P energy: -43.289
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -53.452
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -89.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -848.446915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.446915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.446915 (E_RNA)
where:
Base-Base interactions energy: -608.662
where: short stacking energy: -246.010
Base-Backbone interact. energy: -1.103
local terms energy: -238.681603
where:
bonds (distance) C4'-P energy: -27.913
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -31.285
tors. eta vs tors. theta energy: -74.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -777.471489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.471489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.471489 (E_RNA)
where:
Base-Base interactions energy: -532.708
where: short stacking energy: -231.213
Base-Backbone interact. energy: -1.084
local terms energy: -243.679613
where:
bonds (distance) C4'-P energy: -45.862
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -46.002
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -73.418
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -638.138727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.138727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.138727 (E_RNA)
where:
Base-Base interactions energy: -432.579
where: short stacking energy: -187.288
Base-Backbone interact. energy: -1.988
local terms energy: -203.571431
where:
bonds (distance) C4'-P energy: -42.139
bonds (distance) P-C4' energy: -48.088
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -43.174
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: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -681.417712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.417712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.417712 (E_RNA)
where:
Base-Base interactions energy: -481.307
where: short stacking energy: -204.802
Base-Backbone interact. energy: 2.546
local terms energy: -202.656141
where:
bonds (distance) C4'-P energy: -35.699
bonds (distance) P-C4' energy: -38.859
flat angles C4'-P-C4' energy: -44.792
flat angles P-C4'-P energy: -27.117
tors. eta vs tors. theta energy: -56.190
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -559.405925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.405925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.405925 (E_RNA)
where:
Base-Base interactions energy: -351.451
where: short stacking energy: -171.962
Base-Backbone interact. energy: -0.908
local terms energy: -207.046664
where:
bonds (distance) C4'-P energy: -39.271
bonds (distance) P-C4' energy: -42.088
flat angles C4'-P-C4' energy: -45.069
flat angles P-C4'-P energy: -33.609
tors. eta vs tors. theta energy: -47.010
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: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -539.705152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.705152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.705152 (E_RNA)
where:
Base-Base interactions energy: -366.136
where: short stacking energy: -168.249
Base-Backbone interact. energy: 1.448
local terms energy: -175.016847
where:
bonds (distance) C4'-P energy: -37.715
bonds (distance) P-C4' energy: -38.678
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -41.174
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -309.713829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.713829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.713829 (E_RNA)
where:
Base-Base interactions energy: -162.899
where: short stacking energy: -93.701
Base-Backbone interact. energy: -0.753
local terms energy: -146.061899
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -43.907
flat angles C4'-P-C4' energy: -42.267
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -11.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -231.410488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.410488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.410488 (E_RNA)
where:
Base-Base interactions energy: -110.890
where: short stacking energy: -76.092
Base-Backbone interact. energy: -1.881
local terms energy: -118.639394
where:
bonds (distance) C4'-P energy: -40.063
bonds (distance) P-C4' energy: -45.449
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: 3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -909.704489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.704489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.704489 (E_RNA)
where:
Base-Base interactions energy: -635.320
where: short stacking energy: -277.605
Base-Backbone interact. energy: -0.375
local terms energy: -274.009742
where:
bonds (distance) C4'-P energy: -45.973
bonds (distance) P-C4' energy: -48.238
flat angles C4'-P-C4' energy: -49.799
flat angles P-C4'-P energy: -41.721
tors. eta vs tors. theta energy: -88.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -913.026389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.026389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.026389 (E_RNA)
where:
Base-Base interactions energy: -639.489
where: short stacking energy: -261.393
Base-Backbone interact. energy: -0.735
local terms energy: -272.802677
where:
bonds (distance) C4'-P energy: -51.739
bonds (distance) P-C4' energy: -48.500
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -37.295
tors. eta vs tors. theta energy: -81.449
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: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -853.165230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.165230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.165230 (E_RNA)
where:
Base-Base interactions energy: -603.098
where: short stacking energy: -252.247
Base-Backbone interact. energy: 1.390
local terms energy: -251.457336
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -40.618
flat angles C4'-P-C4' energy: -54.631
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: -77.833
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: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -749.283228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.283228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.283228 (E_RNA)
where:
Base-Base interactions energy: -520.705
where: short stacking energy: -223.524
Base-Backbone interact. energy: -2.204
local terms energy: -226.373805
where:
bonds (distance) C4'-P energy: -39.204
bonds (distance) P-C4' energy: -42.736
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -67.585
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: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -713.371554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.371554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.371554 (E_RNA)
where:
Base-Base interactions energy: -490.062
where: short stacking energy: -204.805
Base-Backbone interact. energy: 1.609
local terms energy: -224.917914
where:
bonds (distance) C4'-P energy: -47.362
bonds (distance) P-C4' energy: -34.853
flat angles C4'-P-C4' energy: -44.181
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -61.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -620.416928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.416928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.416928 (E_RNA)
where:
Base-Base interactions energy: -428.615
where: short stacking energy: -178.247
Base-Backbone interact. energy: 1.734
local terms energy: -193.535603
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -45.213
flat angles P-C4'-P energy: -28.604
tors. eta vs tors. theta energy: -46.731
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: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -565.825116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.825116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.825116 (E_RNA)
where:
Base-Base interactions energy: -365.635
where: short stacking energy: -178.728
Base-Backbone interact. energy: -0.034
local terms energy: -200.155895
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -41.410
flat angles C4'-P-C4' energy: -45.227
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -52.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -542.156672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.156672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.156672 (E_RNA)
where:
Base-Base interactions energy: -349.735
where: short stacking energy: -155.071
Base-Backbone interact. energy: 0.288
local terms energy: -192.710395
where:
bonds (distance) C4'-P energy: -51.290
bonds (distance) P-C4' energy: -39.717
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -23.785
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: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -302.913450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.913450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.913450 (E_RNA)
where:
Base-Base interactions energy: -150.296
where: short stacking energy: -78.835
Base-Backbone interact. energy: 0.555
local terms energy: -153.172959
where:
bonds (distance) C4'-P energy: -40.688
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -16.579
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: 220
Temperature: 1.350000
Total energy: -194.089298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.089298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.089298 (E_RNA)
where:
Base-Base interactions energy: -79.371
where: short stacking energy: -61.105
Base-Backbone interact. energy: -1.097
local terms energy: -113.620456
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -44.754
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: 9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -920.542034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.542034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.542034 (E_RNA)
where:
Base-Base interactions energy: -651.849
where: short stacking energy: -277.982
Base-Backbone interact. energy: -0.583
local terms energy: -268.110108
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -53.821
flat angles P-C4'-P energy: -43.752
tors. eta vs tors. theta energy: -80.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -899.096047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.096047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.096047 (E_RNA)
where:
Base-Base interactions energy: -633.139
where: short stacking energy: -263.245
Base-Backbone interact. energy: -0.237
local terms energy: -265.719712
where:
bonds (distance) C4'-P energy: -41.163
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -57.807
flat angles P-C4'-P energy: -38.453
tors. eta vs tors. theta energy: -80.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -857.109549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.109549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.109549 (E_RNA)
where:
Base-Base interactions energy: -600.585
where: short stacking energy: -246.271
Base-Backbone interact. energy: -0.828
local terms energy: -255.696583
where:
bonds (distance) C4'-P energy: -44.618
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -57.366
flat angles P-C4'-P energy: -30.342
tors. eta vs tors. theta energy: -76.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -753.709724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.709724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.709724 (E_RNA)
where:
Base-Base interactions energy: -507.257
where: short stacking energy: -219.974
Base-Backbone interact. energy: 0.007
local terms energy: -246.460038
where:
bonds (distance) C4'-P energy: -46.569
bonds (distance) P-C4' energy: -45.233
flat angles C4'-P-C4' energy: -52.257
flat angles P-C4'-P energy: -34.508
tors. eta vs tors. theta energy: -67.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -754.812822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.812822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.812822 (E_RNA)
where:
Base-Base interactions energy: -512.919
where: short stacking energy: -220.350
Base-Backbone interact. energy: -1.505
local terms energy: -240.388033
where:
bonds (distance) C4'-P energy: -44.773
bonds (distance) P-C4' energy: -41.926
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -34.353
tors. eta vs tors. theta energy: -64.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -616.890693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.890693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.890693 (E_RNA)
where:
Base-Base interactions energy: -405.110
where: short stacking energy: -169.586
Base-Backbone interact. energy: -1.912
local terms energy: -209.868295
where:
bonds (distance) C4'-P energy: -35.334
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -41.852
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -51.249
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: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -537.985902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.985902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.985902 (E_RNA)
where:
Base-Base interactions energy: -344.196
where: short stacking energy: -158.093
Base-Backbone interact. energy: -0.464
local terms energy: -193.325889
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -39.531
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -47.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -523.769747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.769747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.769747 (E_RNA)
where:
Base-Base interactions energy: -343.745
where: short stacking energy: -133.331
Base-Backbone interact. energy: -0.580
local terms energy: -179.444481
where:
bonds (distance) C4'-P energy: -39.076
bonds (distance) P-C4' energy: -46.464
flat angles C4'-P-C4' energy: -42.813
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -28.621
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: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -308.145700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.145700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.145700 (E_RNA)
where:
Base-Base interactions energy: -164.195
where: short stacking energy: -98.927
Base-Backbone interact. energy: 1.514
local terms energy: -145.464233
where:
bonds (distance) C4'-P energy: -36.635
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -44.452
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -232.002690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.002690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.002690 (E_RNA)
where:
Base-Base interactions energy: -101.424
where: short stacking energy: -59.671
Base-Backbone interact. energy: -0.400
local terms energy: -130.179236
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -38.248
flat angles C4'-P-C4' energy: -38.147
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: 3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -934.279841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.279841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.279841 (E_RNA)
where:
Base-Base interactions energy: -658.795
where: short stacking energy: -274.301
Base-Backbone interact. energy: -1.436
local terms energy: -274.048503
where:
bonds (distance) C4'-P energy: -48.654
bonds (distance) P-C4' energy: -45.369
flat angles C4'-P-C4' energy: -57.441
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -83.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -894.218291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.218291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.218291 (E_RNA)
where:
Base-Base interactions energy: -629.862
where: short stacking energy: -262.708
Base-Backbone interact. energy: -0.838
local terms energy: -263.517571
where:
bonds (distance) C4'-P energy: -50.449
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -48.614
flat angles P-C4'-P energy: -34.600
tors. eta vs tors. theta energy: -80.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -855.225626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.225626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.225626 (E_RNA)
where:
Base-Base interactions energy: -591.251
where: short stacking energy: -242.911
Base-Backbone interact. energy: -0.709
local terms energy: -263.265867
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -50.418
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -74.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -756.255297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.255297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.255297 (E_RNA)
where:
Base-Base interactions energy: -533.249
where: short stacking energy: -211.542
Base-Backbone interact. energy: -2.055
local terms energy: -220.951706
where:
bonds (distance) C4'-P energy: -42.752
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -68.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -738.273817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.273817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.273817 (E_RNA)
where:
Base-Base interactions energy: -515.170
where: short stacking energy: -220.100
Base-Backbone interact. energy: -0.704
local terms energy: -222.400107
where:
bonds (distance) C4'-P energy: -42.766
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -48.396
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -56.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -621.597460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.597460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.597460 (E_RNA)
where:
Base-Base interactions energy: -429.135
where: short stacking energy: -190.374
Base-Backbone interact. energy: -1.223
local terms energy: -191.238558
where:
bonds (distance) C4'-P energy: -36.757
bonds (distance) P-C4' energy: -46.269
flat angles C4'-P-C4' energy: -43.523
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -46.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -546.575848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.575848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.575848 (E_RNA)
where:
Base-Base interactions energy: -350.324
where: short stacking energy: -162.335
Base-Backbone interact. energy: -0.716
local terms energy: -195.535595
where:
bonds (distance) C4'-P energy: -45.317
bonds (distance) P-C4' energy: -44.566
flat angles C4'-P-C4' energy: -32.718
flat angles P-C4'-P energy: -32.434
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: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -500.888728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.888728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.888728 (E_RNA)
where:
Base-Base interactions energy: -328.504
where: short stacking energy: -146.389
Base-Backbone interact. energy: 0.798
local terms energy: -173.183096
where:
bonds (distance) C4'-P energy: -31.315
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -35.492
flat angles P-C4'-P energy: -30.276
tors. eta vs tors. theta energy: -33.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -290.561071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.561071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.561071 (E_RNA)
where:
Base-Base interactions energy: -128.556
where: short stacking energy: -80.361
Base-Backbone interact. energy: -0.203
local terms energy: -161.802180
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -44.640
flat angles C4'-P-C4' energy: -36.751
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -210.894314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.894314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.894314 (E_RNA)
where:
Base-Base interactions energy: -86.143
where: short stacking energy: -58.874
Base-Backbone interact. energy: 4.008
local terms energy: -128.759257
where:
bonds (distance) C4'-P energy: -41.591
bonds (distance) P-C4' energy: -47.255
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: 0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -912.256161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.256161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.256161 (E_RNA)
where:
Base-Base interactions energy: -633.924
where: short stacking energy: -272.564
Base-Backbone interact. energy: -0.403
local terms energy: -277.929711
where:
bonds (distance) C4'-P energy: -49.667
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -59.561
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -84.543
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: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -868.543174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.543174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.543174 (E_RNA)
where:
Base-Base interactions energy: -616.114
where: short stacking energy: -258.439
Base-Backbone interact. energy: -0.144
local terms energy: -252.285617
where:
bonds (distance) C4'-P energy: -38.101
bonds (distance) P-C4' energy: -46.869
flat angles C4'-P-C4' energy: -56.200
flat angles P-C4'-P energy: -34.342
tors. eta vs tors. theta energy: -76.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -879.994048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.994048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.994048 (E_RNA)
where:
Base-Base interactions energy: -637.316
where: short stacking energy: -264.669
Base-Backbone interact. energy: -0.641
local terms energy: -242.037363
where:
bonds (distance) C4'-P energy: -37.375
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -47.884
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -81.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -736.141740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.141740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.141740 (E_RNA)
where:
Base-Base interactions energy: -499.106
where: short stacking energy: -221.849
Base-Backbone interact. energy: -2.003
local terms energy: -235.032500
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -43.575
flat angles C4'-P-C4' energy: -49.426
flat angles P-C4'-P energy: -38.291
tors. eta vs tors. theta energy: -64.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -775.942285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.942285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.942285 (E_RNA)
where:
Base-Base interactions energy: -546.742
where: short stacking energy: -229.020
Base-Backbone interact. energy: -0.548
local terms energy: -228.652589
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -41.890
flat angles C4'-P-C4' energy: -50.397
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -72.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -620.473961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.473961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.473961 (E_RNA)
where:
Base-Base interactions energy: -428.874
where: short stacking energy: -171.237
Base-Backbone interact. energy: -0.737
local terms energy: -190.863233
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -43.407
flat angles C4'-P-C4' energy: -48.844
flat angles P-C4'-P energy: -23.993
tors. eta vs tors. theta energy: -42.779
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: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -559.710022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.710022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.710022 (E_RNA)
where:
Base-Base interactions energy: -350.094
where: short stacking energy: -173.623
Base-Backbone interact. energy: -1.503
local terms energy: -208.112888
where:
bonds (distance) C4'-P energy: -43.780
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -43.370
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -43.921
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: 8, replica: 2
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -486.177267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.177267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.177267 (E_RNA)
where:
Base-Base interactions energy: -297.124
where: short stacking energy: -142.141
Base-Backbone interact. energy: -0.167
local terms energy: -188.886324
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -48.225
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: -45.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -279.822900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.822900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.822900 (E_RNA)
where:
Base-Base interactions energy: -132.613
where: short stacking energy: -80.570
Base-Backbone interact. energy: -0.789
local terms energy: -146.421389
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -46.940
flat angles C4'-P-C4' energy: -28.606
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: 1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -207.238512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.238512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.238512 (E_RNA)
where:
Base-Base interactions energy: -63.386
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.855
local terms energy: -142.997906
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -46.354
flat angles C4'-P-C4' energy: -36.731
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: 2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -887.213289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.213289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.213289 (E_RNA)
where:
Base-Base interactions energy: -624.107
where: short stacking energy: -254.228
Base-Backbone interact. energy: -0.039
local terms energy: -263.067734
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -46.189
flat angles C4'-P-C4' energy: -52.688
flat angles P-C4'-P energy: -34.826
tors. eta vs tors. theta energy: -78.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -893.955480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.955480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.955480 (E_RNA)
where:
Base-Base interactions energy: -630.559
where: short stacking energy: -266.144
Base-Backbone interact. energy: -0.439
local terms energy: -262.957669
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -46.215
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -85.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -860.867054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.867054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.867054 (E_RNA)
where:
Base-Base interactions energy: -600.782
where: short stacking energy: -242.039
Base-Backbone interact. energy: -1.242
local terms energy: -258.842753
where:
bonds (distance) C4'-P energy: -43.017
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -53.471
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -79.388
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: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -742.462456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.462456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.462456 (E_RNA)
where:
Base-Base interactions energy: -518.524
where: short stacking energy: -228.554
Base-Backbone interact. energy: 0.884
local terms energy: -224.823311
where:
bonds (distance) C4'-P energy: -40.209
bonds (distance) P-C4' energy: -41.755
flat angles C4'-P-C4' energy: -44.209
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -63.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -762.640064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.640064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.640064 (E_RNA)
where:
Base-Base interactions energy: -537.335
where: short stacking energy: -229.701
Base-Backbone interact. energy: 1.411
local terms energy: -226.715991
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -41.249
flat angles P-C4'-P energy: -34.987
tors. eta vs tors. theta energy: -75.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -617.348806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.348806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.348806 (E_RNA)
where:
Base-Base interactions energy: -422.232
where: short stacking energy: -176.933
Base-Backbone interact. energy: -0.920
local terms energy: -194.197202
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -47.127
flat angles C4'-P-C4' energy: -37.864
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -44.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -529.131831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.131831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.131831 (E_RNA)
where:
Base-Base interactions energy: -345.876
where: short stacking energy: -153.294
Base-Backbone interact. energy: 1.931
local terms energy: -185.186274
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -42.355
flat angles C4'-P-C4' energy: -43.316
flat angles P-C4'-P energy: -25.406
tors. eta vs tors. theta energy: -29.327
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: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -480.473757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.473757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.473757 (E_RNA)
where:
Base-Base interactions energy: -279.214
where: short stacking energy: -151.135
Base-Backbone interact. energy: 0.223
local terms energy: -201.483529
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -36.636
flat angles C4'-P-C4' energy: -45.954
flat angles P-C4'-P energy: -33.353
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: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -266.565253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.565253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.565253 (E_RNA)
where:
Base-Base interactions energy: -125.502
where: short stacking energy: -79.627
Base-Backbone interact. energy: 0.627
local terms energy: -141.690176
where:
bonds (distance) C4'-P energy: -40.418
bonds (distance) P-C4' energy: -41.691
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -195.861317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.861317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.861317 (E_RNA)
where:
Base-Base interactions energy: -83.616
where: short stacking energy: -49.463
Base-Backbone interact. energy: 0.248
local terms energy: -112.492946
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -41.136
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -21.783
tors. eta vs tors. theta energy: 20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -880.206361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.206361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.206361 (E_RNA)
where:
Base-Base interactions energy: -622.690
where: short stacking energy: -254.217
Base-Backbone interact. energy: -1.955
local terms energy: -255.560901
where:
bonds (distance) C4'-P energy: -38.186
bonds (distance) P-C4' energy: -47.149
flat angles C4'-P-C4' energy: -54.750
flat angles P-C4'-P energy: -40.814
tors. eta vs tors. theta energy: -74.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -885.304452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.304452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.304452 (E_RNA)
where:
Base-Base interactions energy: -622.896
where: short stacking energy: -267.084
Base-Backbone interact. energy: -1.136
local terms energy: -261.272540
where:
bonds (distance) C4'-P energy: -38.535
bonds (distance) P-C4' energy: -48.873
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -82.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -876.739407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.739407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.739407 (E_RNA)
where:
Base-Base interactions energy: -618.430
where: short stacking energy: -254.321
Base-Backbone interact. energy: -0.697
local terms energy: -257.612362
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -47.977
flat angles C4'-P-C4' energy: -50.905
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: -73.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -745.681395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.681395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.681395 (E_RNA)
where:
Base-Base interactions energy: -517.956
where: short stacking energy: -228.160
Base-Backbone interact. energy: -1.753
local terms energy: -225.972934
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -45.283
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -64.778
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: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -746.829238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.829238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.829238 (E_RNA)
where:
Base-Base interactions energy: -522.997
where: short stacking energy: -222.568
Base-Backbone interact. energy: -1.336
local terms energy: -222.495658
where:
bonds (distance) C4'-P energy: -40.266
bonds (distance) P-C4' energy: -33.851
flat angles C4'-P-C4' energy: -44.342
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -70.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -640.076716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.076716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.076716 (E_RNA)
where:
Base-Base interactions energy: -439.101
where: short stacking energy: -180.904
Base-Backbone interact. energy: -1.372
local terms energy: -199.603662
where:
bonds (distance) C4'-P energy: -39.343
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -42.222
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -43.991
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: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -587.014600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.014600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.014600 (E_RNA)
where:
Base-Base interactions energy: -390.914
where: short stacking energy: -165.724
Base-Backbone interact. energy: -2.139
local terms energy: -193.961356
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -45.503
flat angles C4'-P-C4' energy: -44.796
flat angles P-C4'-P energy: -23.246
tors. eta vs tors. theta energy: -46.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -461.262240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.262240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.262240 (E_RNA)
where:
Base-Base interactions energy: -267.630
where: short stacking energy: -141.150
Base-Backbone interact. energy: -1.465
local terms energy: -192.167277
where:
bonds (distance) C4'-P energy: -35.548
bonds (distance) P-C4' energy: -42.983
flat angles C4'-P-C4' energy: -45.533
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -36.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -229.985148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.985148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.985148 (E_RNA)
where:
Base-Base interactions energy: -97.683
where: short stacking energy: -69.105
Base-Backbone interact. energy: 0.844
local terms energy: -133.146238
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -41.053
flat angles C4'-P-C4' energy: -40.449
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -201.958987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.958987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.958987 (E_RNA)
where:
Base-Base interactions energy: -66.714
where: short stacking energy: -56.820
Base-Backbone interact. energy: -1.961
local terms energy: -133.284689
where:
bonds (distance) C4'-P energy: -45.085
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: 7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -902.839634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.839634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.839634 (E_RNA)
where:
Base-Base interactions energy: -633.490
where: short stacking energy: -275.383
Base-Backbone interact. energy: -0.222
local terms energy: -269.127332
where:
bonds (distance) C4'-P energy: -43.267
bonds (distance) P-C4' energy: -48.860
flat angles C4'-P-C4' energy: -54.175
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -83.577
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: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -864.422991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.422991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.422991 (E_RNA)
where:
Base-Base interactions energy: -610.044
where: short stacking energy: -266.223
Base-Backbone interact. energy: -0.013
local terms energy: -254.365947
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -45.563
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -33.754
tors. eta vs tors. theta energy: -75.287
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: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -876.836439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.836439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.836439 (E_RNA)
where:
Base-Base interactions energy: -614.772
where: short stacking energy: -265.910
Base-Backbone interact. energy: -0.462
local terms energy: -261.602229
where:
bonds (distance) C4'-P energy: -46.466
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -49.696
flat angles P-C4'-P energy: -40.337
tors. eta vs tors. theta energy: -77.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -745.285493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.285493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.285493 (E_RNA)
where:
Base-Base interactions energy: -513.841
where: short stacking energy: -221.053
Base-Backbone interact. energy: -0.580
local terms energy: -230.864498
where:
bonds (distance) C4'-P energy: -45.155
bonds (distance) P-C4' energy: -43.085
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -65.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -759.654540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.654540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.654540 (E_RNA)
where:
Base-Base interactions energy: -516.360
where: short stacking energy: -218.450
Base-Backbone interact. energy: -3.080
local terms energy: -240.215037
where:
bonds (distance) C4'-P energy: -40.112
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -52.559
flat angles P-C4'-P energy: -39.829
tors. eta vs tors. theta energy: -75.266
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: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -619.601450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.601450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.601450 (E_RNA)
where:
Base-Base interactions energy: -416.383
where: short stacking energy: -171.423
Base-Backbone interact. energy: -0.631
local terms energy: -202.587370
where:
bonds (distance) C4'-P energy: -41.704
bonds (distance) P-C4' energy: -45.008
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -25.566
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: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -551.729885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.729885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.729885 (E_RNA)
where:
Base-Base interactions energy: -361.898
where: short stacking energy: -160.322
Base-Backbone interact. energy: -1.674
local terms energy: -188.157976
where:
bonds (distance) C4'-P energy: -39.038
bonds (distance) P-C4' energy: -45.829
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -47.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -486.118510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.118510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.118510 (E_RNA)
where:
Base-Base interactions energy: -297.650
where: short stacking energy: -159.493
Base-Backbone interact. energy: -0.340
local terms energy: -188.127979
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -41.132
flat angles C4'-P-C4' energy: -42.997
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -45.060
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: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -220.125295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.125295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.125295 (E_RNA)
where:
Base-Base interactions energy: -84.888
where: short stacking energy: -74.067
Base-Backbone interact. energy: 2.344
local terms energy: -137.581502
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -40.359
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -201.615278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.615278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.615278 (E_RNA)
where:
Base-Base interactions energy: -73.512
where: short stacking energy: -51.817
Base-Backbone interact. energy: -1.520
local terms energy: -126.583499
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -39.359
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: 6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -900.330775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.330775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.330775 (E_RNA)
where:
Base-Base interactions energy: -630.194
where: short stacking energy: -271.657
Base-Backbone interact. energy: -1.516
local terms energy: -268.621374
where:
bonds (distance) C4'-P energy: -45.287
bonds (distance) P-C4' energy: -47.126
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -43.254
tors. eta vs tors. theta energy: -77.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -892.480947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.480947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.480947 (E_RNA)
where:
Base-Base interactions energy: -631.584
where: short stacking energy: -264.551
Base-Backbone interact. energy: -0.257
local terms energy: -260.639467
where:
bonds (distance) C4'-P energy: -44.044
bonds (distance) P-C4' energy: -43.459
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -43.360
tors. eta vs tors. theta energy: -80.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -846.406586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.406586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.406586 (E_RNA)
where:
Base-Base interactions energy: -589.251
where: short stacking energy: -243.791
Base-Backbone interact. energy: -0.904
local terms energy: -256.251492
where:
bonds (distance) C4'-P energy: -46.833
bonds (distance) P-C4' energy: -45.847
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: -74.595
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: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -754.737789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.737789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.737789 (E_RNA)
where:
Base-Base interactions energy: -533.357
where: short stacking energy: -231.804
Base-Backbone interact. energy: -2.596
local terms energy: -218.785051
where:
bonds (distance) C4'-P energy: -32.915
bonds (distance) P-C4' energy: -41.587
flat angles C4'-P-C4' energy: -51.219
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -69.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -711.094346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.094346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.094346 (E_RNA)
where:
Base-Base interactions energy: -502.136
where: short stacking energy: -208.959
Base-Backbone interact. energy: -0.826
local terms energy: -208.132948
where:
bonds (distance) C4'-P energy: -41.722
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -46.412
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -58.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -650.223892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.223892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.223892 (E_RNA)
where:
Base-Base interactions energy: -446.153
where: short stacking energy: -193.091
Base-Backbone interact. energy: -0.434
local terms energy: -203.636277
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -42.189
flat angles C4'-P-C4' energy: -45.389
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -56.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -539.591152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.591152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.591152 (E_RNA)
where:
Base-Base interactions energy: -354.601
where: short stacking energy: -156.160
Base-Backbone interact. energy: -0.307
local terms energy: -184.683382
where:
bonds (distance) C4'-P energy: -40.860
bonds (distance) P-C4' energy: -36.300
flat angles C4'-P-C4' energy: -47.928
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -36.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -451.742227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.742227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.742227 (E_RNA)
where:
Base-Base interactions energy: -269.879
where: short stacking energy: -137.947
Base-Backbone interact. energy: 0.008
local terms energy: -181.870761
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -45.480
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -29.263
tors. eta vs tors. theta energy: -31.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -327.847282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.847282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.847282 (E_RNA)
where:
Base-Base interactions energy: -190.659
where: short stacking energy: -91.856
Base-Backbone interact. energy: -1.827
local terms energy: -135.361596
where:
bonds (distance) C4'-P energy: -36.087
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -35.361
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -193.503607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.503607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.503607 (E_RNA)
where:
Base-Base interactions energy: -76.597
where: short stacking energy: -70.626
Base-Backbone interact. energy: -0.431
local terms energy: -116.475866
where:
bonds (distance) C4'-P energy: -29.886
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -34.839
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: 6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -905.809487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.809487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.809487 (E_RNA)
where:
Base-Base interactions energy: -632.083
where: short stacking energy: -269.093
Base-Backbone interact. energy: -0.650
local terms energy: -273.076331
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -57.821
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -84.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -905.598370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.598370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.598370 (E_RNA)
where:
Base-Base interactions energy: -635.145
where: short stacking energy: -258.300
Base-Backbone interact. energy: -0.111
local terms energy: -270.341889
where:
bonds (distance) C4'-P energy: -47.018
bonds (distance) P-C4' energy: -48.540
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -82.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -879.023599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.023599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.023599 (E_RNA)
where:
Base-Base interactions energy: -625.365
where: short stacking energy: -266.828
Base-Backbone interact. energy: -0.186
local terms energy: -253.472390
where:
bonds (distance) C4'-P energy: -47.369
bonds (distance) P-C4' energy: -39.683
flat angles C4'-P-C4' energy: -54.746
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -81.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -777.147262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.147262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.147262 (E_RNA)
where:
Base-Base interactions energy: -539.111
where: short stacking energy: -239.327
Base-Backbone interact. energy: -2.579
local terms energy: -235.457265
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -46.775
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -71.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -739.106493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.106493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.106493 (E_RNA)
where:
Base-Base interactions energy: -506.967
where: short stacking energy: -231.412
Base-Backbone interact. energy: -0.340
local terms energy: -231.798738
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -43.699
flat angles C4'-P-C4' energy: -45.342
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -71.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -644.537772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.537772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.537772 (E_RNA)
where:
Base-Base interactions energy: -451.891
where: short stacking energy: -196.525
Base-Backbone interact. energy: -0.842
local terms energy: -191.804273
where:
bonds (distance) C4'-P energy: -40.518
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -53.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -534.313942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.313942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.313942 (E_RNA)
where:
Base-Base interactions energy: -357.414
where: short stacking energy: -173.025
Base-Backbone interact. energy: 1.170
local terms energy: -178.070194
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -35.680
flat angles C4'-P-C4' energy: -38.329
flat angles P-C4'-P energy: -31.069
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -448.175108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.175108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.175108 (E_RNA)
where:
Base-Base interactions energy: -280.273
where: short stacking energy: -128.829
Base-Backbone interact. energy: -1.245
local terms energy: -166.657119
where:
bonds (distance) C4'-P energy: -36.189
bonds (distance) P-C4' energy: -44.244
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -26.955
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: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -286.797820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.797820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.797820 (E_RNA)
where:
Base-Base interactions energy: -165.298
where: short stacking energy: -88.422
Base-Backbone interact. energy: 3.155
local terms energy: -124.654463
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -34.788
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -208.979123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.979123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.979123 (E_RNA)
where:
Base-Base interactions energy: -71.284
where: short stacking energy: -69.162
Base-Backbone interact. energy: -0.445
local terms energy: -137.249580
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -41.384
flat angles C4'-P-C4' energy: -33.219
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -899.072541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.072541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.072541 (E_RNA)
where:
Base-Base interactions energy: -627.942
where: short stacking energy: -261.366
Base-Backbone interact. energy: -1.197
local terms energy: -269.932787
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -53.936
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -81.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -894.847562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.847562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.847562 (E_RNA)
where:
Base-Base interactions energy: -637.267
where: short stacking energy: -264.918
Base-Backbone interact. energy: -0.764
local terms energy: -256.816687
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -44.381
flat angles C4'-P-C4' energy: -53.477
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -82.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -879.373799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.373799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.373799 (E_RNA)
where:
Base-Base interactions energy: -619.720
where: short stacking energy: -255.651
Base-Backbone interact. energy: 0.075
local terms energy: -259.728408
where:
bonds (distance) C4'-P energy: -42.756
bonds (distance) P-C4' energy: -45.185
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -82.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -796.082382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.082382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.082382 (E_RNA)
where:
Base-Base interactions energy: -545.832
where: short stacking energy: -229.577
Base-Backbone interact. energy: -2.778
local terms energy: -247.472040
where:
bonds (distance) C4'-P energy: -43.946
bonds (distance) P-C4' energy: -46.164
flat angles C4'-P-C4' energy: -45.751
flat angles P-C4'-P energy: -34.875
tors. eta vs tors. theta energy: -76.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -711.054375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.054375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.054375 (E_RNA)
where:
Base-Base interactions energy: -500.273
where: short stacking energy: -202.431
Base-Backbone interact. energy: 0.730
local terms energy: -211.511451
where:
bonds (distance) C4'-P energy: -38.999
bonds (distance) P-C4' energy: -41.918
flat angles C4'-P-C4' energy: -47.225
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -61.448
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: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -625.264398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.264398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.264398 (E_RNA)
where:
Base-Base interactions energy: -416.280
where: short stacking energy: -170.183
Base-Backbone interact. energy: 0.073
local terms energy: -209.057454
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -44.933
flat angles C4'-P-C4' energy: -36.029
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -45.820
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: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -529.750979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.750979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.750979 (E_RNA)
where:
Base-Base interactions energy: -343.915
where: short stacking energy: -143.399
Base-Backbone interact. energy: 1.085
local terms energy: -186.920561
where:
bonds (distance) C4'-P energy: -41.291
bonds (distance) P-C4' energy: -38.610
flat angles C4'-P-C4' energy: -47.116
flat angles P-C4'-P energy: -31.642
tors. eta vs tors. theta energy: -28.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -436.124827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.124827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.124827 (E_RNA)
where:
Base-Base interactions energy: -250.740
where: short stacking energy: -127.765
Base-Backbone interact. energy: -0.478
local terms energy: -184.906596
where:
bonds (distance) C4'-P energy: -39.349
bonds (distance) P-C4' energy: -38.910
flat angles C4'-P-C4' energy: -49.306
flat angles P-C4'-P energy: -26.425
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: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -319.947779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.947779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.947779 (E_RNA)
where:
Base-Base interactions energy: -170.689
where: short stacking energy: -103.421
Base-Backbone interact. energy: 1.474
local terms energy: -150.732920
where:
bonds (distance) C4'-P energy: -35.969
bonds (distance) P-C4' energy: -38.690
flat angles C4'-P-C4' energy: -40.972
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -199.800143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.800143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.800143 (E_RNA)
where:
Base-Base interactions energy: -55.224
where: short stacking energy: -52.227
Base-Backbone interact. energy: -1.462
local terms energy: -143.113497
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -39.751
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -914.088961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.088961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.088961 (E_RNA)
where:
Base-Base interactions energy: -634.066
where: short stacking energy: -268.966
Base-Backbone interact. energy: -0.005
local terms energy: -280.017628
where:
bonds (distance) C4'-P energy: -43.345
bonds (distance) P-C4' energy: -50.280
flat angles C4'-P-C4' energy: -55.630
flat angles P-C4'-P energy: -46.444
tors. eta vs tors. theta energy: -84.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -895.348042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.348042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.348042 (E_RNA)
where:
Base-Base interactions energy: -622.181
where: short stacking energy: -250.286
Base-Backbone interact. energy: -1.886
local terms energy: -271.280666
where:
bonds (distance) C4'-P energy: -48.089
bonds (distance) P-C4' energy: -47.157
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -79.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -876.122285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.122285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.122285 (E_RNA)
where:
Base-Base interactions energy: -631.963
where: short stacking energy: -269.118
Base-Backbone interact. energy: -0.536
local terms energy: -243.623124
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -39.417
flat angles C4'-P-C4' energy: -51.217
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -80.036
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: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -763.008440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.008440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.008440 (E_RNA)
where:
Base-Base interactions energy: -537.779
where: short stacking energy: -235.628
Base-Backbone interact. energy: 0.700
local terms energy: -225.929121
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -53.714
flat angles P-C4'-P energy: -26.256
tors. eta vs tors. theta energy: -70.164
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: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -732.769834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.769834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.769834 (E_RNA)
where:
Base-Base interactions energy: -490.950
where: short stacking energy: -212.297
Base-Backbone interact. energy: -1.408
local terms energy: -240.412824
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -44.361
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -35.263
tors. eta vs tors. theta energy: -59.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -567.620458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.620458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.620458 (E_RNA)
where:
Base-Base interactions energy: -370.629
where: short stacking energy: -166.502
Base-Backbone interact. energy: 1.971
local terms energy: -198.961817
where:
bonds (distance) C4'-P energy: -38.515
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -41.792
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -40.030
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: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -573.781391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.781391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.781391 (E_RNA)
where:
Base-Base interactions energy: -379.128
where: short stacking energy: -157.505
Base-Backbone interact. energy: -0.765
local terms energy: -193.888705
where:
bonds (distance) C4'-P energy: -41.606
bonds (distance) P-C4' energy: -39.025
flat angles C4'-P-C4' energy: -49.990
flat angles P-C4'-P energy: -30.572
tors. eta vs tors. theta energy: -32.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -447.131174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.131174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.131174 (E_RNA)
where:
Base-Base interactions energy: -269.969
where: short stacking energy: -133.141
Base-Backbone interact. energy: 4.150
local terms energy: -181.312165
where:
bonds (distance) C4'-P energy: -35.560
bonds (distance) P-C4' energy: -50.535
flat angles C4'-P-C4' energy: -49.024
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -24.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -328.561410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.561410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.561410 (E_RNA)
where:
Base-Base interactions energy: -177.298
where: short stacking energy: -97.509
Base-Backbone interact. energy: -1.211
local terms energy: -150.052209
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -42.766
flat angles C4'-P-C4' energy: -44.494
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -199.805053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.805053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.805053 (E_RNA)
where:
Base-Base interactions energy: -78.953
where: short stacking energy: -69.383
Base-Backbone interact. energy: -0.802
local terms energy: -120.049442
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -42.889
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -11.809
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: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -902.256300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.256300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.256300 (E_RNA)
where:
Base-Base interactions energy: -625.743
where: short stacking energy: -272.278
Base-Backbone interact. energy: -1.196
local terms energy: -275.317564
where:
bonds (distance) C4'-P energy: -43.911
bonds (distance) P-C4' energy: -50.262
flat angles C4'-P-C4' energy: -52.734
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -84.445
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: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -872.432976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.432976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.432976 (E_RNA)
where:
Base-Base interactions energy: -613.606
where: short stacking energy: -262.387
Base-Backbone interact. energy: 0.978
local terms energy: -259.804993
where:
bonds (distance) C4'-P energy: -46.579
bonds (distance) P-C4' energy: -38.436
flat angles C4'-P-C4' energy: -48.403
flat angles P-C4'-P energy: -41.279
tors. eta vs tors. theta energy: -85.109
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: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -881.297256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.297256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.297256 (E_RNA)
where:
Base-Base interactions energy: -627.066
where: short stacking energy: -258.052
Base-Backbone interact. energy: -0.206
local terms energy: -254.025249
where:
bonds (distance) C4'-P energy: -44.712
bonds (distance) P-C4' energy: -41.839
flat angles C4'-P-C4' energy: -52.184
flat angles P-C4'-P energy: -38.657
tors. eta vs tors. theta energy: -76.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -780.077766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.077766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.077766 (E_RNA)
where:
Base-Base interactions energy: -553.424
where: short stacking energy: -236.236
Base-Backbone interact. energy: 0.276
local terms energy: -226.929546
where:
bonds (distance) C4'-P energy: -43.788
bonds (distance) P-C4' energy: -35.714
flat angles C4'-P-C4' energy: -50.398
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: -73.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -726.907285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.907285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.907285 (E_RNA)
where:
Base-Base interactions energy: -510.816
where: short stacking energy: -206.706
Base-Backbone interact. energy: -0.043
local terms energy: -216.047978
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -56.507
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: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -576.567300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.567300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.567300 (E_RNA)
where:
Base-Base interactions energy: -372.487
where: short stacking energy: -164.010
Base-Backbone interact. energy: -1.113
local terms energy: -202.967433
where:
bonds (distance) C4'-P energy: -45.419
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -42.105
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -42.557
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: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -557.947400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.947400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.947400 (E_RNA)
where:
Base-Base interactions energy: -375.963
where: short stacking energy: -164.982
Base-Backbone interact. energy: 0.706
local terms energy: -182.690005
where:
bonds (distance) C4'-P energy: -39.447
bonds (distance) P-C4' energy: -41.310
flat angles C4'-P-C4' energy: -37.401
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -440.872827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.872827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.872827 (E_RNA)
where:
Base-Base interactions energy: -267.645
where: short stacking energy: -152.599
Base-Backbone interact. energy: -0.198
local terms energy: -173.028981
where:
bonds (distance) C4'-P energy: -42.403
bonds (distance) P-C4' energy: -33.308
flat angles C4'-P-C4' energy: -35.609
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -36.296
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: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -308.492133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.492133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.492133 (E_RNA)
where:
Base-Base interactions energy: -160.738
where: short stacking energy: -94.418
Base-Backbone interact. energy: -1.104
local terms energy: -146.650325
where:
bonds (distance) C4'-P energy: -40.342
bonds (distance) P-C4' energy: -42.630
flat angles C4'-P-C4' energy: -38.075
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -216.111329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111329 (E_RNA)
where:
Base-Base interactions energy: -76.675
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.686
local terms energy: -138.750338
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -45.258
flat angles C4'-P-C4' energy: -39.407
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: 6.592
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: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -898.692658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.692658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.692658 (E_RNA)
where:
Base-Base interactions energy: -624.969
where: short stacking energy: -263.997
Base-Backbone interact. energy: -0.112
local terms energy: -273.611622
where:
bonds (distance) C4'-P energy: -46.399
bonds (distance) P-C4' energy: -53.793
flat angles C4'-P-C4' energy: -51.438
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -80.173
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: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -864.752521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.752521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.752521 (E_RNA)
where:
Base-Base interactions energy: -616.789
where: short stacking energy: -256.615
Base-Backbone interact. energy: -0.998
local terms energy: -246.965425
where:
bonds (distance) C4'-P energy: -47.994
bonds (distance) P-C4' energy: -35.618
flat angles C4'-P-C4' energy: -49.425
flat angles P-C4'-P energy: -37.225
tors. eta vs tors. theta energy: -76.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -875.315639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.315639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.315639 (E_RNA)
where:
Base-Base interactions energy: -628.285
where: short stacking energy: -269.594
Base-Backbone interact. energy: -0.059
local terms energy: -246.970886
where:
bonds (distance) C4'-P energy: -37.045
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -53.653
flat angles P-C4'-P energy: -38.795
tors. eta vs tors. theta energy: -79.790
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: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -779.531880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.531880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.531880 (E_RNA)
where:
Base-Base interactions energy: -539.132
where: short stacking energy: -234.304
Base-Backbone interact. energy: 1.764
local terms energy: -242.163820
where:
bonds (distance) C4'-P energy: -45.118
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -53.763
flat angles P-C4'-P energy: -27.066
tors. eta vs tors. theta energy: -73.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -746.609142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.609142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.609142 (E_RNA)
where:
Base-Base interactions energy: -514.104
where: short stacking energy: -224.675
Base-Backbone interact. energy: -0.826
local terms energy: -231.679242
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -46.822
flat angles C4'-P-C4' energy: -42.026
flat angles P-C4'-P energy: -25.289
tors. eta vs tors. theta energy: -67.593
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: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -569.464739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.464739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.464739 (E_RNA)
where:
Base-Base interactions energy: -365.837
where: short stacking energy: -160.878
Base-Backbone interact. energy: -1.092
local terms energy: -202.535787
where:
bonds (distance) C4'-P energy: -40.794
bonds (distance) P-C4' energy: -42.927
flat angles C4'-P-C4' energy: -41.110
flat angles P-C4'-P energy: -31.177
tors. eta vs tors. theta energy: -46.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -585.779035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.779035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.779035 (E_RNA)
where:
Base-Base interactions energy: -401.581
where: short stacking energy: -179.971
Base-Backbone interact. energy: -1.295
local terms energy: -182.903063
where:
bonds (distance) C4'-P energy: -40.388
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -32.797
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: 8, replica: 2
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -452.119783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.119783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.119783 (E_RNA)
where:
Base-Base interactions energy: -266.711
where: short stacking energy: -133.567
Base-Backbone interact. energy: 0.165
local terms energy: -185.573395
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -45.088
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -23.965
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: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -301.325898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.325898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.325898 (E_RNA)
where:
Base-Base interactions energy: -142.668
where: short stacking energy: -83.169
Base-Backbone interact. energy: -1.430
local terms energy: -157.228039
where:
bonds (distance) C4'-P energy: -35.193
bonds (distance) P-C4' energy: -46.143
flat angles C4'-P-C4' energy: -34.689
flat angles P-C4'-P energy: -31.776
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -261.465496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.465496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.465496 (E_RNA)
where:
Base-Base interactions energy: -128.288
where: short stacking energy: -77.112
Base-Backbone interact. energy: 0.804
local terms energy: -133.981355
where:
bonds (distance) C4'-P energy: -34.460
bonds (distance) P-C4' energy: -30.783
flat angles C4'-P-C4' energy: -42.090
flat angles P-C4'-P energy: -24.180
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -908.572570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.572570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.572570 (E_RNA)
where:
Base-Base interactions energy: -638.310
where: short stacking energy: -274.771
Base-Backbone interact. energy: 0.632
local terms energy: -270.894650
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -41.600
flat angles C4'-P-C4' energy: -52.676
flat angles P-C4'-P energy: -40.648
tors. eta vs tors. theta energy: -84.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -885.699618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.699618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.699618 (E_RNA)
where:
Base-Base interactions energy: -628.202
where: short stacking energy: -256.566
Base-Backbone interact. energy: -0.019
local terms energy: -257.478151
where:
bonds (distance) C4'-P energy: -41.817
bonds (distance) P-C4' energy: -45.668
flat angles C4'-P-C4' energy: -46.935
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -83.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -881.925772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.925772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.925772 (E_RNA)
where:
Base-Base interactions energy: -622.009
where: short stacking energy: -264.694
Base-Backbone interact. energy: -0.645
local terms energy: -259.271683
where:
bonds (distance) C4'-P energy: -41.875
bonds (distance) P-C4' energy: -39.065
flat angles C4'-P-C4' energy: -53.297
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -84.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -757.722816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.722816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.722816 (E_RNA)
where:
Base-Base interactions energy: -528.765
where: short stacking energy: -217.198
Base-Backbone interact. energy: 1.057
local terms energy: -230.014726
where:
bonds (distance) C4'-P energy: -45.651
bonds (distance) P-C4' energy: -50.456
flat angles C4'-P-C4' energy: -45.614
flat angles P-C4'-P energy: -33.006
tors. eta vs tors. theta energy: -55.289
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: 233
Temperature: 1.100000
Total energy: -725.941255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.941255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.941255 (E_RNA)
where:
Base-Base interactions energy: -506.273
where: short stacking energy: -219.083
Base-Backbone interact. energy: -1.283
local terms energy: -218.385385
where:
bonds (distance) C4'-P energy: -40.524
bonds (distance) P-C4' energy: -39.541
flat angles C4'-P-C4' energy: -46.133
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -60.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -575.319281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.319281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.319281 (E_RNA)
where:
Base-Base interactions energy: -369.329
where: short stacking energy: -166.811
Base-Backbone interact. energy: 1.020
local terms energy: -207.011233
where:
bonds (distance) C4'-P energy: -44.043
bonds (distance) P-C4' energy: -49.372
flat angles C4'-P-C4' energy: -44.100
flat angles P-C4'-P energy: -25.280
tors. eta vs tors. theta energy: -44.217
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: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -595.678875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.678875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.678875 (E_RNA)
where:
Base-Base interactions energy: -399.331
where: short stacking energy: -188.589
Base-Backbone interact. energy: 0.581
local terms energy: -196.929047
where:
bonds (distance) C4'-P energy: -33.487
bonds (distance) P-C4' energy: -37.882
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -40.743
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: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -459.822107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.822107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.822107 (E_RNA)
where:
Base-Base interactions energy: -272.460
where: short stacking energy: -133.631
Base-Backbone interact. energy: -1.282
local terms energy: -186.079555
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -38.676
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: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -293.097379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.097379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.097379 (E_RNA)
where:
Base-Base interactions energy: -150.939
where: short stacking energy: -84.001
Base-Backbone interact. energy: 2.131
local terms energy: -144.288930
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -44.867
flat angles C4'-P-C4' energy: -32.089
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -246.249484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.249484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.249484 (E_RNA)
where:
Base-Base interactions energy: -123.594
where: short stacking energy: -80.834
Base-Backbone interact. energy: -0.426
local terms energy: -122.229871
where:
bonds (distance) C4'-P energy: -30.056
bonds (distance) P-C4' energy: -38.576
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -0.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -907.649445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.649445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.649445 (E_RNA)
where:
Base-Base interactions energy: -641.297
where: short stacking energy: -276.003
Base-Backbone interact. energy: -0.033
local terms energy: -266.318968
where:
bonds (distance) C4'-P energy: -46.998
bonds (distance) P-C4' energy: -39.275
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -43.082
tors. eta vs tors. theta energy: -85.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -893.458879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.458879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.458879 (E_RNA)
where:
Base-Base interactions energy: -635.107
where: short stacking energy: -274.084
Base-Backbone interact. energy: -0.166
local terms energy: -258.185858
where:
bonds (distance) C4'-P energy: -39.962
bonds (distance) P-C4' energy: -40.712
flat angles C4'-P-C4' energy: -52.626
flat angles P-C4'-P energy: -39.583
tors. eta vs tors. theta energy: -85.303
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -888.172081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.172081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.172081 (E_RNA)
where:
Base-Base interactions energy: -631.915
where: short stacking energy: -271.409
Base-Backbone interact. energy: -0.033
local terms energy: -256.224416
where:
bonds (distance) C4'-P energy: -40.744
bonds (distance) P-C4' energy: -42.257
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -35.095
tors. eta vs tors. theta energy: -84.572
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: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -755.127591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.127591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.127591 (E_RNA)
where:
Base-Base interactions energy: -548.297
where: short stacking energy: -223.663
Base-Backbone interact. energy: -0.144
local terms energy: -206.686606
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -49.178
flat angles P-C4'-P energy: -29.019
tors. eta vs tors. theta energy: -58.556
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: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -737.555020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.555020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.555020 (E_RNA)
where:
Base-Base interactions energy: -498.754
where: short stacking energy: -213.730
Base-Backbone interact. energy: -3.016
local terms energy: -235.785217
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -51.619
flat angles C4'-P-C4' energy: -40.115
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -64.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -597.383343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.383343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.383343 (E_RNA)
where:
Base-Base interactions energy: -400.543
where: short stacking energy: -171.841
Base-Backbone interact. energy: 0.573
local terms energy: -197.413198
where:
bonds (distance) C4'-P energy: -42.169
bonds (distance) P-C4' energy: -40.711
flat angles C4'-P-C4' energy: -42.755
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -579.345168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.345168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.345168 (E_RNA)
where:
Base-Base interactions energy: -395.983
where: short stacking energy: -159.669
Base-Backbone interact. energy: 0.991
local terms energy: -184.353843
where:
bonds (distance) C4'-P energy: -48.892
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -36.379
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -39.611
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: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -489.135815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.135815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.135815 (E_RNA)
where:
Base-Base interactions energy: -302.518
where: short stacking energy: -156.864
Base-Backbone interact. energy: -0.464
local terms energy: -186.153709
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -35.512
flat angles C4'-P-C4' energy: -40.420
flat angles P-C4'-P energy: -31.052
tors. eta vs tors. theta energy: -45.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -283.808730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.808730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.808730 (E_RNA)
where:
Base-Base interactions energy: -139.771
where: short stacking energy: -85.023
Base-Backbone interact. energy: -1.166
local terms energy: -142.872230
where:
bonds (distance) C4'-P energy: -31.492
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -37.279
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -222.153298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.153298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.153298 (E_RNA)
where:
Base-Base interactions energy: -83.549
where: short stacking energy: -81.381
Base-Backbone interact. energy: -0.432
local terms energy: -138.172303
where:
bonds (distance) C4'-P energy: -29.865
bonds (distance) P-C4' energy: -35.725
flat angles C4'-P-C4' energy: -47.017
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -905.934758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.934758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.934758 (E_RNA)
where:
Base-Base interactions energy: -633.490
where: short stacking energy: -277.619
Base-Backbone interact. energy: -0.822
local terms energy: -271.621931
where:
bonds (distance) C4'-P energy: -49.024
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -49.256
flat angles P-C4'-P energy: -36.787
tors. eta vs tors. theta energy: -83.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -888.869129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.869129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.869129 (E_RNA)
where:
Base-Base interactions energy: -625.069
where: short stacking energy: -265.712
Base-Backbone interact. energy: -0.227
local terms energy: -263.572685
where:
bonds (distance) C4'-P energy: -45.223
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -52.017
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -86.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -887.392621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.392621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.392621 (E_RNA)
where:
Base-Base interactions energy: -608.503
where: short stacking energy: -265.513
Base-Backbone interact. energy: -0.005
local terms energy: -278.884169
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -51.693
flat angles C4'-P-C4' energy: -54.578
flat angles P-C4'-P energy: -40.845
tors. eta vs tors. theta energy: -84.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -759.360806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.360806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.360806 (E_RNA)
where:
Base-Base interactions energy: -526.943
where: short stacking energy: -220.223
Base-Backbone interact. energy: -0.614
local terms energy: -231.803570
where:
bonds (distance) C4'-P energy: -39.867
bonds (distance) P-C4' energy: -45.758
flat angles C4'-P-C4' energy: -43.058
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -64.380
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: 235
Temperature: 1.100000
Total energy: -706.709579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.709579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.709579 (E_RNA)
where:
Base-Base interactions energy: -492.123
where: short stacking energy: -216.480
Base-Backbone interact. energy: -2.420
local terms energy: -212.167243
where:
bonds (distance) C4'-P energy: -35.031
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -42.823
flat angles P-C4'-P energy: -34.515
tors. eta vs tors. theta energy: -62.941
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: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -633.719397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.719397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.719397 (E_RNA)
where:
Base-Base interactions energy: -423.134
where: short stacking energy: -175.217
Base-Backbone interact. energy: -0.805
local terms energy: -209.779752
where:
bonds (distance) C4'-P energy: -40.456
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -47.958
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: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -570.297989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.297989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.297989 (E_RNA)
where:
Base-Base interactions energy: -386.423
where: short stacking energy: -177.836
Base-Backbone interact. energy: -1.214
local terms energy: -182.660500
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -36.308
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -45.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -467.004291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.004291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.004291 (E_RNA)
where:
Base-Base interactions energy: -272.606
where: short stacking energy: -145.833
Base-Backbone interact. energy: -2.149
local terms energy: -192.248900
where:
bonds (distance) C4'-P energy: -45.563
bonds (distance) P-C4' energy: -46.300
flat angles C4'-P-C4' energy: -41.816
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -41.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -229.181037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.181037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.181037 (E_RNA)
where:
Base-Base interactions energy: -96.982
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.176
local terms energy: -132.022663
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -36.281
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: 3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -196.571348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.571348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.571348 (E_RNA)
where:
Base-Base interactions energy: -64.901
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.822
local terms energy: -130.848572
where:
bonds (distance) C4'-P energy: -34.904
bonds (distance) P-C4' energy: -45.682
flat angles C4'-P-C4' energy: -33.463
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -901.271217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.271217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.271217 (E_RNA)
where:
Base-Base interactions energy: -633.792
where: short stacking energy: -273.123
Base-Backbone interact. energy: -0.487
local terms energy: -266.992692
where:
bonds (distance) C4'-P energy: -45.698
bonds (distance) P-C4' energy: -48.267
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -36.857
tors. eta vs tors. theta energy: -80.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -887.480921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.480921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.480921 (E_RNA)
where:
Base-Base interactions energy: -637.038
where: short stacking energy: -280.625
Base-Backbone interact. energy: -0.001
local terms energy: -250.442723
where:
bonds (distance) C4'-P energy: -32.317
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -55.978
flat angles P-C4'-P energy: -41.434
tors. eta vs tors. theta energy: -84.750
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: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -776.285766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.285766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.285766 (E_RNA)
where:
Base-Base interactions energy: -536.905
where: short stacking energy: -214.256
Base-Backbone interact. energy: -0.602
local terms energy: -238.779176
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -42.095
flat angles C4'-P-C4' energy: -52.624
flat angles P-C4'-P energy: -33.567
tors. eta vs tors. theta energy: -65.134
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: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -858.228197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.228197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.228197 (E_RNA)
where:
Base-Base interactions energy: -606.244
where: short stacking energy: -252.801
Base-Backbone interact. energy: 0.753
local terms energy: -252.737054
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -42.534
flat angles C4'-P-C4' energy: -53.220
flat angles P-C4'-P energy: -37.777
tors. eta vs tors. theta energy: -79.836
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: 236
Temperature: 1.100000
Total energy: -718.963070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.963070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.963070 (E_RNA)
where:
Base-Base interactions energy: -493.379
where: short stacking energy: -212.110
Base-Backbone interact. energy: -2.065
local terms energy: -223.519087
where:
bonds (distance) C4'-P energy: -36.878
bonds (distance) P-C4' energy: -45.031
flat angles C4'-P-C4' energy: -44.112
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -67.134
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: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -609.005234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.005234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.005234 (E_RNA)
where:
Base-Base interactions energy: -421.753
where: short stacking energy: -186.926
Base-Backbone interact. energy: -1.735
local terms energy: -185.517828
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -50.042
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -44.695
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: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -550.223628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.223628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.223628 (E_RNA)
where:
Base-Base interactions energy: -381.134
where: short stacking energy: -163.787
Base-Backbone interact. energy: 0.769
local terms energy: -169.858199
where:
bonds (distance) C4'-P energy: -35.406
bonds (distance) P-C4' energy: -32.517
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -455.671882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.671882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.671882 (E_RNA)
where:
Base-Base interactions energy: -274.637
where: short stacking energy: -134.618
Base-Backbone interact. energy: -0.976
local terms energy: -180.058788
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -26.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -223.132244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.132244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.132244 (E_RNA)
where:
Base-Base interactions energy: -86.831
where: short stacking energy: -63.367
Base-Backbone interact. energy: -1.528
local terms energy: -134.773500
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -49.611
flat angles C4'-P-C4' energy: -28.319
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -193.077118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.077118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.077118 (E_RNA)
where:
Base-Base interactions energy: -80.370
where: short stacking energy: -75.082
Base-Backbone interact. energy: -1.110
local terms energy: -111.597040
where:
bonds (distance) C4'-P energy: -32.200
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -33.764
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: 9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -920.111529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.111529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.111529 (E_RNA)
where:
Base-Base interactions energy: -639.347
where: short stacking energy: -273.962
Base-Backbone interact. energy: 0.640
local terms energy: -281.404895
where:
bonds (distance) C4'-P energy: -46.538
bonds (distance) P-C4' energy: -47.859
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -85.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -904.685802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.685802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.685802 (E_RNA)
where:
Base-Base interactions energy: -640.535
where: short stacking energy: -279.934
Base-Backbone interact. energy: -0.259
local terms energy: -263.891642
where:
bonds (distance) C4'-P energy: -46.600
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -36.995
tors. eta vs tors. theta energy: -85.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -789.234444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.234444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.234444 (E_RNA)
where:
Base-Base interactions energy: -551.883
where: short stacking energy: -221.968
Base-Backbone interact. energy: -0.190
local terms energy: -237.161124
where:
bonds (distance) C4'-P energy: -36.701
bonds (distance) P-C4' energy: -45.663
flat angles C4'-P-C4' energy: -57.040
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -65.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -863.919252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.919252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.919252 (E_RNA)
where:
Base-Base interactions energy: -616.533
where: short stacking energy: -267.770
Base-Backbone interact. energy: -0.103
local terms energy: -247.283348
where:
bonds (distance) C4'-P energy: -31.913
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -46.252
flat angles P-C4'-P energy: -42.399
tors. eta vs tors. theta energy: -84.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -708.150770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.150770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.150770 (E_RNA)
where:
Base-Base interactions energy: -479.187
where: short stacking energy: -204.356
Base-Backbone interact. energy: -1.659
local terms energy: -227.304146
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -43.866
flat angles C4'-P-C4' energy: -42.330
flat angles P-C4'-P energy: -37.359
tors. eta vs tors. theta energy: -61.170
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: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -583.609831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.609831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.609831 (E_RNA)
where:
Base-Base interactions energy: -393.964
where: short stacking energy: -163.224
Base-Backbone interact. energy: 0.870
local terms energy: -190.515722
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -36.378
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -40.973
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: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -543.215834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.215834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.215834 (E_RNA)
where:
Base-Base interactions energy: -364.177
where: short stacking energy: -152.472
Base-Backbone interact. energy: -2.106
local terms energy: -176.932622
where:
bonds (distance) C4'-P energy: -38.274
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -28.927
tors. eta vs tors. theta energy: -31.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -457.375902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.375902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.375902 (E_RNA)
where:
Base-Base interactions energy: -277.513
where: short stacking energy: -148.806
Base-Backbone interact. energy: -1.196
local terms energy: -178.666906
where:
bonds (distance) C4'-P energy: -39.897
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -35.911
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -37.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -212.708123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.708123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.708123 (E_RNA)
where:
Base-Base interactions energy: -87.406
where: short stacking energy: -67.788
Base-Backbone interact. energy: -1.014
local terms energy: -124.288716
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -43.575
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: 7.628
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: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -224.586202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.586202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.586202 (E_RNA)
where:
Base-Base interactions energy: -101.517
where: short stacking energy: -73.965
Base-Backbone interact. energy: 1.359
local terms energy: -124.428990
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -42.612
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -20.250
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: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -909.442567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.442567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.442567 (E_RNA)
where:
Base-Base interactions energy: -644.242
where: short stacking energy: -269.456
Base-Backbone interact. energy: -0.093
local terms energy: -265.107857
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -52.357
flat angles P-C4'-P energy: -36.048
tors. eta vs tors. theta energy: -83.443
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: 238
Temperature: 0.950000
Total energy: -884.424611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.424611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.424611 (E_RNA)
where:
Base-Base interactions energy: -612.088
where: short stacking energy: -273.239
Base-Backbone interact. energy: -0.044
local terms energy: -272.292603
where:
bonds (distance) C4'-P energy: -50.955
bonds (distance) P-C4' energy: -44.508
flat angles C4'-P-C4' energy: -55.372
flat angles P-C4'-P energy: -38.158
tors. eta vs tors. theta energy: -83.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -870.704527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.704527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.704527 (E_RNA)
where:
Base-Base interactions energy: -624.524
where: short stacking energy: -259.263
Base-Backbone interact. energy: -1.004
local terms energy: -245.176195
where:
bonds (distance) C4'-P energy: -42.969
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -55.451
flat angles P-C4'-P energy: -32.146
tors. eta vs tors. theta energy: -78.167
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: 238
Temperature: 1.050000
Total energy: -714.030518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.030518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.030518 (E_RNA)
where:
Base-Base interactions energy: -509.434
where: short stacking energy: -213.310
Base-Backbone interact. energy: -2.995
local terms energy: -201.601436
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -44.130
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -29.088
tors. eta vs tors. theta energy: -52.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -713.113781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.113781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.113781 (E_RNA)
where:
Base-Base interactions energy: -497.626
where: short stacking energy: -202.124
Base-Backbone interact. energy: -0.537
local terms energy: -214.950347
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -43.846
flat angles C4'-P-C4' energy: -44.649
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -61.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -593.796074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.796074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.796074 (E_RNA)
where:
Base-Base interactions energy: -404.659
where: short stacking energy: -189.719
Base-Backbone interact. energy: -1.901
local terms energy: -187.235741
where:
bonds (distance) C4'-P energy: -38.077
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -50.908
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -49.874
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: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -601.846970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.846970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.846970 (E_RNA)
where:
Base-Base interactions energy: -410.587
where: short stacking energy: -169.666
Base-Backbone interact. energy: -0.735
local terms energy: -190.524746
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -33.364
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -49.495
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: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -494.851790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.851790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.851790 (E_RNA)
where:
Base-Base interactions energy: -309.566
where: short stacking energy: -148.527
Base-Backbone interact. energy: -1.765
local terms energy: -183.520829
where:
bonds (distance) C4'-P energy: -38.323
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -41.733
flat angles P-C4'-P energy: -33.923
tors. eta vs tors. theta energy: -35.357
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: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -249.679137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.679137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.679137 (E_RNA)
where:
Base-Base interactions energy: -101.802
where: short stacking energy: -65.348
Base-Backbone interact. energy: -0.800
local terms energy: -147.077525
where:
bonds (distance) C4'-P energy: -41.789
bonds (distance) P-C4' energy: -49.053
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -211.957272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.957272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.957272 (E_RNA)
where:
Base-Base interactions energy: -88.548
where: short stacking energy: -77.865
Base-Backbone interact. energy: -1.262
local terms energy: -122.147097
where:
bonds (distance) C4'-P energy: -40.464
bonds (distance) P-C4' energy: -37.593
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -910.694863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.694863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.694863 (E_RNA)
where:
Base-Base interactions energy: -641.843
where: short stacking energy: -279.360
Base-Backbone interact. energy: -0.337
local terms energy: -268.515188
where:
bonds (distance) C4'-P energy: -46.718
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -83.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -890.158494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.158494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.158494 (E_RNA)
where:
Base-Base interactions energy: -629.668
where: short stacking energy: -262.793
Base-Backbone interact. energy: -0.189
local terms energy: -260.301868
where:
bonds (distance) C4'-P energy: -47.638
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -54.519
flat angles P-C4'-P energy: -37.504
tors. eta vs tors. theta energy: -78.964
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: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -878.855465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.855465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.855465 (E_RNA)
where:
Base-Base interactions energy: -611.776
where: short stacking energy: -258.692
Base-Backbone interact. energy: 0.162
local terms energy: -267.241438
where:
bonds (distance) C4'-P energy: -49.229
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -54.179
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -79.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -762.185527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.185527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.185527 (E_RNA)
where:
Base-Base interactions energy: -530.622
where: short stacking energy: -227.144
Base-Backbone interact. energy: -0.417
local terms energy: -231.146777
where:
bonds (distance) C4'-P energy: -42.585
bonds (distance) P-C4' energy: -43.487
flat angles C4'-P-C4' energy: -47.224
flat angles P-C4'-P energy: -35.065
tors. eta vs tors. theta energy: -62.786
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -700.767005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.767005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.767005 (E_RNA)
where:
Base-Base interactions energy: -493.937
where: short stacking energy: -197.805
Base-Backbone interact. energy: 0.349
local terms energy: -207.178525
where:
bonds (distance) C4'-P energy: -39.072
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -63.083
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: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -637.981474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.981474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.981474 (E_RNA)
where:
Base-Base interactions energy: -439.031
where: short stacking energy: -196.935
Base-Backbone interact. energy: 0.687
local terms energy: -199.637630
where:
bonds (distance) C4'-P energy: -37.883
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -42.769
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -50.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -570.417889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.417889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.417889 (E_RNA)
where:
Base-Base interactions energy: -389.861
where: short stacking energy: -160.297
Base-Backbone interact. energy: -1.853
local terms energy: -178.703957
where:
bonds (distance) C4'-P energy: -38.051
bonds (distance) P-C4' energy: -42.677
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -30.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -479.609386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.609386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.609386 (E_RNA)
where:
Base-Base interactions energy: -308.483
where: short stacking energy: -163.817
Base-Backbone interact. energy: 0.963
local terms energy: -172.089390
where:
bonds (distance) C4'-P energy: -31.470
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -29.219
tors. eta vs tors. theta energy: -40.645
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: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -204.188851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.188851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.188851 (E_RNA)
where:
Base-Base interactions energy: -64.414
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.864
local terms energy: -138.910568
where:
bonds (distance) C4'-P energy: -27.232
bonds (distance) P-C4' energy: -41.370
flat angles C4'-P-C4' energy: -42.362
flat angles P-C4'-P energy: -19.702
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -198.097893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.097893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.097893 (E_RNA)
where:
Base-Base interactions energy: -77.055
where: short stacking energy: -71.071
Base-Backbone interact. energy: -1.066
local terms energy: -119.976088
where:
bonds (distance) C4'-P energy: -45.117
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -26.192
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: 6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -899.210005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.210005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.210005 (E_RNA)
where:
Base-Base interactions energy: -635.392
where: short stacking energy: -266.526
Base-Backbone interact. energy: -0.439
local terms energy: -263.379269
where:
bonds (distance) C4'-P energy: -43.266
bonds (distance) P-C4' energy: -40.669
flat angles C4'-P-C4' energy: -53.467
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -84.195
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: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -888.364838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.364838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.364838 (E_RNA)
where:
Base-Base interactions energy: -628.393
where: short stacking energy: -266.501
Base-Backbone interact. energy: 1.020
local terms energy: -260.992226
where:
bonds (distance) C4'-P energy: -45.466
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -52.879
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -78.725
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: 240
Temperature: 1.000000
Total energy: -890.851166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.851166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.851166 (E_RNA)
where:
Base-Base interactions energy: -626.894
where: short stacking energy: -265.583
Base-Backbone interact. energy: -0.793
local terms energy: -263.164013
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -45.023
flat angles C4'-P-C4' energy: -53.125
flat angles P-C4'-P energy: -41.539
tors. eta vs tors. theta energy: -82.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -776.349167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.349167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.349167 (E_RNA)
where:
Base-Base interactions energy: -541.943
where: short stacking energy: -223.614
Base-Backbone interact. energy: -0.512
local terms energy: -233.894285
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -39.929
flat angles C4'-P-C4' energy: -48.655
flat angles P-C4'-P energy: -34.250
tors. eta vs tors. theta energy: -68.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -727.198356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.198356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.198356 (E_RNA)
where:
Base-Base interactions energy: -509.579
where: short stacking energy: -206.285
Base-Backbone interact. energy: 0.568
local terms energy: -218.186770
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -44.921
flat angles C4'-P-C4' energy: -47.105
flat angles P-C4'-P energy: -24.532
tors. eta vs tors. theta energy: -64.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -636.773681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.773681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.773681 (E_RNA)
where:
Base-Base interactions energy: -466.209
where: short stacking energy: -204.535
Base-Backbone interact. energy: -0.857
local terms energy: -169.707794
where:
bonds (distance) C4'-P energy: -30.758
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -22.842
tors. eta vs tors. theta energy: -52.575
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: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -514.366201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.366201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.366201 (E_RNA)
where:
Base-Base interactions energy: -322.216
where: short stacking energy: -137.655
Base-Backbone interact. energy: -0.049
local terms energy: -192.100834
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -26.465
tors. eta vs tors. theta energy: -31.574
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: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -459.528150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.528150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.528150 (E_RNA)
where:
Base-Base interactions energy: -283.658
where: short stacking energy: -146.004
Base-Backbone interact. energy: -0.796
local terms energy: -175.074119
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -41.654
flat angles C4'-P-C4' energy: -38.189
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -30.243
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: 240
Temperature: 1.300000
Total energy: -220.724732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.724732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.724732 (E_RNA)
where:
Base-Base interactions energy: -91.211
where: short stacking energy: -55.409
Base-Backbone interact. energy: -1.239
local terms energy: -128.274914
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: 3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -209.958432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.958432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.958432 (E_RNA)
where:
Base-Base interactions energy: -85.095
where: short stacking energy: -44.262
Base-Backbone interact. energy: -1.818
local terms energy: -123.045713
where:
bonds (distance) C4'-P energy: -38.241
bonds (distance) P-C4' energy: -42.354
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: 9.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -904.197984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.197984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.197984 (E_RNA)
where:
Base-Base interactions energy: -630.498
where: short stacking energy: -279.443
Base-Backbone interact. energy: -0.044
local terms energy: -273.656492
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -50.961
flat angles C4'-P-C4' energy: -55.585
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -84.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -895.742425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.742425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.742425 (E_RNA)
where:
Base-Base interactions energy: -632.319
where: short stacking energy: -262.755
Base-Backbone interact. energy: -0.064
local terms energy: -263.359630
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -41.444
flat angles C4'-P-C4' energy: -53.207
flat angles P-C4'-P energy: -41.900
tors. eta vs tors. theta energy: -83.466
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: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -879.657045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.657045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.657045 (E_RNA)
where:
Base-Base interactions energy: -606.142
where: short stacking energy: -260.616
Base-Backbone interact. energy: -0.012
local terms energy: -273.502722
where:
bonds (distance) C4'-P energy: -49.026
bonds (distance) P-C4' energy: -38.228
flat angles C4'-P-C4' energy: -56.822
flat angles P-C4'-P energy: -44.534
tors. eta vs tors. theta energy: -84.893
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: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -772.301934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.301934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.301934 (E_RNA)
where:
Base-Base interactions energy: -527.560
where: short stacking energy: -218.849
Base-Backbone interact. energy: -1.283
local terms energy: -243.458938
where:
bonds (distance) C4'-P energy: -43.032
bonds (distance) P-C4' energy: -50.045
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -38.568
tors. eta vs tors. theta energy: -58.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -715.577556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.577556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.577556 (E_RNA)
where:
Base-Base interactions energy: -491.229
where: short stacking energy: -212.861
Base-Backbone interact. energy: -0.345
local terms energy: -224.003730
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -49.622
flat angles C4'-P-C4' energy: -43.530
flat angles P-C4'-P energy: -30.662
tors. eta vs tors. theta energy: -63.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -600.687377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.687377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.687377 (E_RNA)
where:
Base-Base interactions energy: -419.402
where: short stacking energy: -171.591
Base-Backbone interact. energy: 0.739
local terms energy: -182.024166
where:
bonds (distance) C4'-P energy: -29.912
bonds (distance) P-C4' energy: -44.578
flat angles C4'-P-C4' energy: -43.561
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -39.032
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: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -482.930921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.930921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.930921 (E_RNA)
where:
Base-Base interactions energy: -305.180
where: short stacking energy: -136.598
Base-Backbone interact. energy: -1.265
local terms energy: -176.485769
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -33.388
flat angles C4'-P-C4' energy: -43.250
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -32.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -480.067910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.067910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.067910 (E_RNA)
where:
Base-Base interactions energy: -291.297
where: short stacking energy: -141.681
Base-Backbone interact. energy: 1.375
local terms energy: -190.145252
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -30.186
tors. eta vs tors. theta energy: -43.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -237.626970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626970 (E_RNA)
where:
Base-Base interactions energy: -103.508
where: short stacking energy: -67.868
Base-Backbone interact. energy: -1.008
local terms energy: -133.111798
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -43.387
flat angles C4'-P-C4' energy: -30.896
flat angles P-C4'-P energy: -19.593
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -193.080824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.080824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.080824 (E_RNA)
where:
Base-Base interactions energy: -62.799
where: short stacking energy: -56.654
Base-Backbone interact. energy: 1.023
local terms energy: -131.305043
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -42.104
flat angles C4'-P-C4' energy: -37.081
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: 9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -909.848079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.848079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.848079 (E_RNA)
where:
Base-Base interactions energy: -636.460
where: short stacking energy: -272.546
Base-Backbone interact. energy: -0.034
local terms energy: -273.353728
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -42.215
flat angles C4'-P-C4' energy: -61.192
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -82.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -903.176221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.176221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.176221 (E_RNA)
where:
Base-Base interactions energy: -636.298
where: short stacking energy: -271.626
Base-Backbone interact. energy: -0.008
local terms energy: -266.870162
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -37.428
flat angles C4'-P-C4' energy: -58.949
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -86.804
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: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -873.703045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.703045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.703045 (E_RNA)
where:
Base-Base interactions energy: -618.684
where: short stacking energy: -251.607
Base-Backbone interact. energy: -0.496
local terms energy: -254.522986
where:
bonds (distance) C4'-P energy: -45.449
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -54.194
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -79.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -788.057182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.057182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.057182 (E_RNA)
where:
Base-Base interactions energy: -536.473
where: short stacking energy: -232.101
Base-Backbone interact. energy: -1.083
local terms energy: -250.501637
where:
bonds (distance) C4'-P energy: -47.269
bonds (distance) P-C4' energy: -44.076
flat angles C4'-P-C4' energy: -50.358
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -71.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -677.218821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.218821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.218821 (E_RNA)
where:
Base-Base interactions energy: -474.266
where: short stacking energy: -202.370
Base-Backbone interact. energy: -2.161
local terms energy: -200.791575
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -39.843
flat angles C4'-P-C4' energy: -47.649
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -60.711
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: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -658.705931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.705931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.705931 (E_RNA)
where:
Base-Base interactions energy: -455.085
where: short stacking energy: -201.355
Base-Backbone interact. energy: -0.391
local terms energy: -203.230071
where:
bonds (distance) C4'-P energy: -42.079
bonds (distance) P-C4' energy: -33.433
flat angles C4'-P-C4' energy: -44.591
flat angles P-C4'-P energy: -24.444
tors. eta vs tors. theta energy: -58.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -510.958607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.958607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.958607 (E_RNA)
where:
Base-Base interactions energy: -324.946
where: short stacking energy: -151.927
Base-Backbone interact. energy: -0.396
local terms energy: -185.616972
where:
bonds (distance) C4'-P energy: -44.081
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -34.057
flat angles P-C4'-P energy: -24.846
tors. eta vs tors. theta energy: -35.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -502.428114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.428114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.428114 (E_RNA)
where:
Base-Base interactions energy: -336.174
where: short stacking energy: -159.393
Base-Backbone interact. energy: -0.169
local terms energy: -166.085424
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -34.455
flat angles C4'-P-C4' energy: -29.054
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -36.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -224.077018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.077018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.077018 (E_RNA)
where:
Base-Base interactions energy: -91.730
where: short stacking energy: -79.095
Base-Backbone interact. energy: -1.197
local terms energy: -131.150328
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -36.441
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -190.086045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.086045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.086045 (E_RNA)
where:
Base-Base interactions energy: -65.812
where: short stacking energy: -60.186
Base-Backbone interact. energy: -2.398
local terms energy: -121.876118
where:
bonds (distance) C4'-P energy: -39.243
bonds (distance) P-C4' energy: -35.628
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: 10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -900.279679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.279679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.279679 (E_RNA)
where:
Base-Base interactions energy: -632.170
where: short stacking energy: -273.175
Base-Backbone interact. energy: -0.018
local terms energy: -268.092455
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -48.870
flat angles C4'-P-C4' energy: -51.029
flat angles P-C4'-P energy: -44.079
tors. eta vs tors. theta energy: -84.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -908.815498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.815498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.815498 (E_RNA)
where:
Base-Base interactions energy: -646.213
where: short stacking energy: -276.327
Base-Backbone interact. energy: -1.507
local terms energy: -261.096239
where:
bonds (distance) C4'-P energy: -43.160
bonds (distance) P-C4' energy: -49.479
flat angles C4'-P-C4' energy: -50.596
flat angles P-C4'-P energy: -39.157
tors. eta vs tors. theta energy: -78.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -885.551318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.551318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.551318 (E_RNA)
where:
Base-Base interactions energy: -620.895
where: short stacking energy: -274.391
Base-Backbone interact. energy: -0.065
local terms energy: -264.591014
where:
bonds (distance) C4'-P energy: -44.514
bonds (distance) P-C4' energy: -47.064
flat angles C4'-P-C4' energy: -53.530
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -83.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -738.947970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.947970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.947970 (E_RNA)
where:
Base-Base interactions energy: -510.190
where: short stacking energy: -204.770
Base-Backbone interact. energy: -0.866
local terms energy: -227.892423
where:
bonds (distance) C4'-P energy: -40.174
bonds (distance) P-C4' energy: -48.252
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -64.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -695.203931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.203931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.203931 (E_RNA)
where:
Base-Base interactions energy: -485.829
where: short stacking energy: -202.139
Base-Backbone interact. energy: -0.884
local terms energy: -208.490588
where:
bonds (distance) C4'-P energy: -44.012
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -32.136
tors. eta vs tors. theta energy: -61.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -632.903677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.903677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.903677 (E_RNA)
where:
Base-Base interactions energy: -436.649
where: short stacking energy: -189.208
Base-Backbone interact. energy: -0.702
local terms energy: -195.552975
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -44.136
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -52.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -413.383472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.383472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.383472 (E_RNA)
where:
Base-Base interactions energy: -238.810
where: short stacking energy: -111.110
Base-Backbone interact. energy: 1.433
local terms energy: -176.005920
where:
bonds (distance) C4'-P energy: -43.484
bonds (distance) P-C4' energy: -46.572
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -32.294
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -515.881132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.881132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.881132 (E_RNA)
where:
Base-Base interactions energy: -333.651
where: short stacking energy: -161.279
Base-Backbone interact. energy: 0.695
local terms energy: -182.924527
where:
bonds (distance) C4'-P energy: -37.544
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -45.424
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -222.477015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.477015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.477015 (E_RNA)
where:
Base-Base interactions energy: -80.001
where: short stacking energy: -71.372
Base-Backbone interact. energy: 1.092
local terms energy: -143.567731
where:
bonds (distance) C4'-P energy: -38.034
bonds (distance) P-C4' energy: -41.192
flat angles C4'-P-C4' energy: -41.188
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -201.825056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.825056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.825056 (E_RNA)
where:
Base-Base interactions energy: -61.798
where: short stacking energy: -61.325
Base-Backbone interact. energy: 1.097
local terms energy: -141.123573
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -906.150752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.150752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.150752 (E_RNA)
where:
Base-Base interactions energy: -630.588
where: short stacking energy: -275.430
Base-Backbone interact. energy: -0.060
local terms energy: -275.503242
where:
bonds (distance) C4'-P energy: -39.217
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -59.110
flat angles P-C4'-P energy: -40.683
tors. eta vs tors. theta energy: -84.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -903.049351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.049351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.049351 (E_RNA)
where:
Base-Base interactions energy: -631.576
where: short stacking energy: -268.834
Base-Backbone interact. energy: -0.455
local terms energy: -271.018136
where:
bonds (distance) C4'-P energy: -45.080
bonds (distance) P-C4' energy: -46.385
flat angles C4'-P-C4' energy: -55.234
flat angles P-C4'-P energy: -42.733
tors. eta vs tors. theta energy: -81.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -884.046721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.046721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.046721 (E_RNA)
where:
Base-Base interactions energy: -618.742
where: short stacking energy: -273.595
Base-Backbone interact. energy: -0.014
local terms energy: -265.290853
where:
bonds (distance) C4'-P energy: -39.348
bonds (distance) P-C4' energy: -46.873
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -38.966
tors. eta vs tors. theta energy: -86.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -764.417182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.417182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.417182 (E_RNA)
where:
Base-Base interactions energy: -548.799
where: short stacking energy: -222.254
Base-Backbone interact. energy: -1.255
local terms energy: -214.363164
where:
bonds (distance) C4'-P energy: -31.663
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -41.158
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -67.219
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: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -706.152328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.152328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.152328 (E_RNA)
where:
Base-Base interactions energy: -479.340
where: short stacking energy: -196.245
Base-Backbone interact. energy: -3.507
local terms energy: -223.305813
where:
bonds (distance) C4'-P energy: -44.120
bonds (distance) P-C4' energy: -34.756
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -63.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -640.262110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.262110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.262110 (E_RNA)
where:
Base-Base interactions energy: -429.535
where: short stacking energy: -172.681
Base-Backbone interact. energy: -0.063
local terms energy: -210.663858
where:
bonds (distance) C4'-P energy: -43.529
bonds (distance) P-C4' energy: -49.164
flat angles C4'-P-C4' energy: -35.333
flat angles P-C4'-P energy: -37.299
tors. eta vs tors. theta energy: -45.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -565.064294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.064294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.064294 (E_RNA)
where:
Base-Base interactions energy: -370.013
where: short stacking energy: -175.289
Base-Backbone interact. energy: -1.094
local terms energy: -193.956843
where:
bonds (distance) C4'-P energy: -44.727
bonds (distance) P-C4' energy: -30.079
flat angles C4'-P-C4' energy: -45.252
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -50.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -420.786241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.786241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.786241 (E_RNA)
where:
Base-Base interactions energy: -252.414
where: short stacking energy: -132.264
Base-Backbone interact. energy: -1.430
local terms energy: -166.941981
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -40.730
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -29.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -230.876399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.876399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.876399 (E_RNA)
where:
Base-Base interactions energy: -94.837
where: short stacking energy: -81.776
Base-Backbone interact. energy: -0.553
local terms energy: -135.486534
where:
bonds (distance) C4'-P energy: -35.079
bonds (distance) P-C4' energy: -44.830
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -3.977
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: 244
Temperature: 1.350000
Total energy: -201.293223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.293223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.293223 (E_RNA)
where:
Base-Base interactions energy: -72.726
where: short stacking energy: -69.010
Base-Backbone interact. energy: -1.606
local terms energy: -126.960800
where:
bonds (distance) C4'-P energy: -43.965
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -22.462
flat angles P-C4'-P energy: -29.249
tors. eta vs tors. theta energy: 3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -907.722137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.722137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.722137 (E_RNA)
where:
Base-Base interactions energy: -627.811
where: short stacking energy: -279.945
Base-Backbone interact. energy: -0.168
local terms energy: -279.742907
where:
bonds (distance) C4'-P energy: -48.095
bonds (distance) P-C4' energy: -48.842
flat angles C4'-P-C4' energy: -56.169
flat angles P-C4'-P energy: -41.829
tors. eta vs tors. theta energy: -84.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -885.990781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.990781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.990781 (E_RNA)
where:
Base-Base interactions energy: -621.528
where: short stacking energy: -266.796
Base-Backbone interact. energy: -0.221
local terms energy: -264.242030
where:
bonds (distance) C4'-P energy: -43.704
bonds (distance) P-C4' energy: -52.598
flat angles C4'-P-C4' energy: -54.453
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -79.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -893.085779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.085779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.085779 (E_RNA)
where:
Base-Base interactions energy: -616.881
where: short stacking energy: -269.468
Base-Backbone interact. energy: -0.226
local terms energy: -275.978698
where:
bonds (distance) C4'-P energy: -49.123
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -52.127
flat angles P-C4'-P energy: -39.018
tors. eta vs tors. theta energy: -87.096
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: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -765.190069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.190069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.190069 (E_RNA)
where:
Base-Base interactions energy: -530.527
where: short stacking energy: -227.794
Base-Backbone interact. energy: -0.784
local terms energy: -233.879755
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -39.702
flat angles C4'-P-C4' energy: -46.473
flat angles P-C4'-P energy: -35.909
tors. eta vs tors. theta energy: -66.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -730.080827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.080827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.080827 (E_RNA)
where:
Base-Base interactions energy: -510.207
where: short stacking energy: -213.996
Base-Backbone interact. energy: -0.896
local terms energy: -218.977239
where:
bonds (distance) C4'-P energy: -36.843
bonds (distance) P-C4' energy: -31.341
flat angles C4'-P-C4' energy: -51.296
flat angles P-C4'-P energy: -32.633
tors. eta vs tors. theta energy: -66.865
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: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -660.597943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.597943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.597943 (E_RNA)
where:
Base-Base interactions energy: -445.872
where: short stacking energy: -190.577
Base-Backbone interact. energy: 4.493
local terms energy: -219.219166
where:
bonds (distance) C4'-P energy: -38.993
bonds (distance) P-C4' energy: -45.925
flat angles C4'-P-C4' energy: -51.356
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: -51.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -555.364573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.364573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.364573 (E_RNA)
where:
Base-Base interactions energy: -370.182
where: short stacking energy: -162.299
Base-Backbone interact. energy: 0.270
local terms energy: -185.452502
where:
bonds (distance) C4'-P energy: -45.453
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -41.427
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -37.715
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: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -442.016652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.016652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.016652 (E_RNA)
where:
Base-Base interactions energy: -256.223
where: short stacking energy: -129.483
Base-Backbone interact. energy: -1.097
local terms energy: -184.696730
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -39.196
flat angles C4'-P-C4' energy: -39.591
flat angles P-C4'-P energy: -33.141
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: 9, replica: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -233.261139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.261139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.261139 (E_RNA)
where:
Base-Base interactions energy: -98.119
where: short stacking energy: -97.551
Base-Backbone interact. energy: -0.359
local terms energy: -134.783701
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -39.992
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -197.007030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.007030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.007030 (E_RNA)
where:
Base-Base interactions energy: -77.326
where: short stacking energy: -72.196
Base-Backbone interact. energy: -0.014
local terms energy: -119.666749
where:
bonds (distance) C4'-P energy: -31.407
bonds (distance) P-C4' energy: -38.995
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -26.310
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -910.717626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.717626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.717626 (E_RNA)
where:
Base-Base interactions energy: -633.777
where: short stacking energy: -267.624
Base-Backbone interact. energy: -0.018
local terms energy: -276.922513
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -53.231
flat angles P-C4'-P energy: -40.702
tors. eta vs tors. theta energy: -82.062
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: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -891.318650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.318650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.318650 (E_RNA)
where:
Base-Base interactions energy: -628.609
where: short stacking energy: -265.254
Base-Backbone interact. energy: -0.014
local terms energy: -262.695757
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -48.308
flat angles C4'-P-C4' energy: -54.282
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -83.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -888.534374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.534374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.534374 (E_RNA)
where:
Base-Base interactions energy: -617.683
where: short stacking energy: -270.098
Base-Backbone interact. energy: -0.304
local terms energy: -270.546900
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -41.004
flat angles C4'-P-C4' energy: -55.466
flat angles P-C4'-P energy: -38.063
tors. eta vs tors. theta energy: -83.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -749.095363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.095363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.095363 (E_RNA)
where:
Base-Base interactions energy: -516.955
where: short stacking energy: -224.210
Base-Backbone interact. energy: -2.000
local terms energy: -230.140405
where:
bonds (distance) C4'-P energy: -47.129
bonds (distance) P-C4' energy: -44.282
flat angles C4'-P-C4' energy: -52.800
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -60.481
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: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -739.389599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.389599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.389599 (E_RNA)
where:
Base-Base interactions energy: -505.957
where: short stacking energy: -217.933
Base-Backbone interact. energy: -2.593
local terms energy: -230.839269
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -45.222
flat angles P-C4'-P energy: -34.567
tors. eta vs tors. theta energy: -68.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -659.080831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.080831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.080831 (E_RNA)
where:
Base-Base interactions energy: -444.413
where: short stacking energy: -194.305
Base-Backbone interact. energy: -0.260
local terms energy: -214.407223
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -44.800
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -52.387
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: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -561.909611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.909611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.909611 (E_RNA)
where:
Base-Base interactions energy: -369.790
where: short stacking energy: -162.859
Base-Backbone interact. energy: -1.298
local terms energy: -190.821669
where:
bonds (distance) C4'-P energy: -29.976
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -49.508
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -44.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -440.586737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.586737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.586737 (E_RNA)
where:
Base-Base interactions energy: -270.074
where: short stacking energy: -133.370
Base-Backbone interact. energy: -0.985
local terms energy: -169.528502
where:
bonds (distance) C4'-P energy: -39.545
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -44.727
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -31.366
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: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -216.028104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.028104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.028104 (E_RNA)
where:
Base-Base interactions energy: -81.547
where: short stacking energy: -67.425
Base-Backbone interact. energy: 0.023
local terms energy: -134.504069
where:
bonds (distance) C4'-P energy: -43.641
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -42.037
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: 2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -204.294591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.294591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.294591 (E_RNA)
where:
Base-Base interactions energy: -92.971
where: short stacking energy: -66.128
Base-Backbone interact. energy: -0.945
local terms energy: -110.377623
where:
bonds (distance) C4'-P energy: -45.483
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -29.389
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: 12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -915.995692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.995692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.995692 (E_RNA)
where:
Base-Base interactions energy: -653.035
where: short stacking energy: -259.733
Base-Backbone interact. energy: 0.320
local terms energy: -263.280668
where:
bonds (distance) C4'-P energy: -45.337
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -52.154
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -79.422
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -903.029918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.029918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.029918 (E_RNA)
where:
Base-Base interactions energy: -623.379
where: short stacking energy: -274.562
Base-Backbone interact. energy: -0.001
local terms energy: -279.649273
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -51.984
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -84.239
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: 247
Temperature: 1.000000
Total energy: -876.908021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.908021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.908021 (E_RNA)
where:
Base-Base interactions energy: -624.840
where: short stacking energy: -266.390
Base-Backbone interact. energy: -0.324
local terms energy: -251.744667
where:
bonds (distance) C4'-P energy: -43.406
bonds (distance) P-C4' energy: -39.208
flat angles C4'-P-C4' energy: -50.682
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -81.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -771.563081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.563081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.563081 (E_RNA)
where:
Base-Base interactions energy: -533.091
where: short stacking energy: -226.437
Base-Backbone interact. energy: -0.090
local terms energy: -238.382318
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -44.144
flat angles C4'-P-C4' energy: -44.909
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -67.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -747.410067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.410067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.410067 (E_RNA)
where:
Base-Base interactions energy: -528.614
where: short stacking energy: -213.530
Base-Backbone interact. energy: 0.977
local terms energy: -219.772261
where:
bonds (distance) C4'-P energy: -44.421
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -39.438
flat angles P-C4'-P energy: -34.791
tors. eta vs tors. theta energy: -61.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -655.680590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.680590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.680590 (E_RNA)
where:
Base-Base interactions energy: -434.922
where: short stacking energy: -194.664
Base-Backbone interact. energy: -0.200
local terms energy: -220.558434
where:
bonds (distance) C4'-P energy: -50.167
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -25.041
tors. eta vs tors. theta energy: -55.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -537.138104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.138104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.138104 (E_RNA)
where:
Base-Base interactions energy: -329.455
where: short stacking energy: -140.143
Base-Backbone interact. energy: -1.145
local terms energy: -206.538361
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -47.437
flat angles C4'-P-C4' energy: -44.684
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -42.628
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: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -437.008221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.008221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.008221 (E_RNA)
where:
Base-Base interactions energy: -269.633
where: short stacking energy: -137.496
Base-Backbone interact. energy: 2.280
local terms energy: -169.655242
where:
bonds (distance) C4'-P energy: -41.330
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -44.895
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -25.468
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: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -218.943944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.943944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.943944 (E_RNA)
where:
Base-Base interactions energy: -96.462
where: short stacking energy: -54.615
Base-Backbone interact. energy: -0.095
local terms energy: -122.386514
where:
bonds (distance) C4'-P energy: -40.426
bonds (distance) P-C4' energy: -43.797
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: 9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -205.456414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.456414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.456414 (E_RNA)
where:
Base-Base interactions energy: -78.305
where: short stacking energy: -47.132
Base-Backbone interact. energy: 0.856
local terms energy: -128.007933
where:
bonds (distance) C4'-P energy: -38.377
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -33.543
flat angles P-C4'-P energy: -23.538
tors. eta vs tors. theta energy: 9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -917.677032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.677032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.677032 (E_RNA)
where:
Base-Base interactions energy: -649.565
where: short stacking energy: -265.962
Base-Backbone interact. energy: -0.653
local terms energy: -267.458813
where:
bonds (distance) C4'-P energy: -43.476
bonds (distance) P-C4' energy: -42.730
flat angles C4'-P-C4' energy: -61.448
flat angles P-C4'-P energy: -38.470
tors. eta vs tors. theta energy: -81.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -897.073254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.073254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.073254 (E_RNA)
where:
Base-Base interactions energy: -630.292
where: short stacking energy: -268.412
Base-Backbone interact. energy: -0.103
local terms energy: -266.677817
where:
bonds (distance) C4'-P energy: -48.918
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -51.738
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -78.726
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: 248
Temperature: 1.000000
Total energy: -880.076650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.076650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.076650 (E_RNA)
where:
Base-Base interactions energy: -622.651
where: short stacking energy: -276.075
Base-Backbone interact. energy: -0.030
local terms energy: -257.395434
where:
bonds (distance) C4'-P energy: -38.903
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: -83.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -760.594493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.594493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.594493 (E_RNA)
where:
Base-Base interactions energy: -530.754
where: short stacking energy: -235.064
Base-Backbone interact. energy: -0.293
local terms energy: -229.547951
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -51.810
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -66.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -755.055721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.055721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.055721 (E_RNA)
where:
Base-Base interactions energy: -525.839
where: short stacking energy: -227.634
Base-Backbone interact. energy: -1.873
local terms energy: -227.344216
where:
bonds (distance) C4'-P energy: -44.154
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -47.311
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: -69.082
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: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -629.986721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.986721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.986721 (E_RNA)
where:
Base-Base interactions energy: -435.863
where: short stacking energy: -191.349
Base-Backbone interact. energy: 0.815
local terms energy: -194.938769
where:
bonds (distance) C4'-P energy: -41.129
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -39.976
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -55.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -510.227634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.227634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.227634 (E_RNA)
where:
Base-Base interactions energy: -334.705
where: short stacking energy: -164.670
Base-Backbone interact. energy: -0.747
local terms energy: -174.775519
where:
bonds (distance) C4'-P energy: -26.575
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -40.523
flat angles P-C4'-P energy: -34.796
tors. eta vs tors. theta energy: -38.288
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: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -483.722211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.722211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.722211 (E_RNA)
where:
Base-Base interactions energy: -289.320
where: short stacking energy: -151.703
Base-Backbone interact. energy: 0.089
local terms energy: -194.490783
where:
bonds (distance) C4'-P energy: -43.821
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -50.399
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -45.588
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -273.608347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.608347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.608347 (E_RNA)
where:
Base-Base interactions energy: -127.704
where: short stacking energy: -76.202
Base-Backbone interact. energy: 3.105
local terms energy: -149.008913
where:
bonds (distance) C4'-P energy: -40.923
bonds (distance) P-C4' energy: -45.120
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -205.365748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.365748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.365748 (E_RNA)
where:
Base-Base interactions energy: -83.391
where: short stacking energy: -76.003
Base-Backbone interact. energy: 0.670
local terms energy: -122.644145
where:
bonds (distance) C4'-P energy: -35.679
bonds (distance) P-C4' energy: -45.500
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: 8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -909.237082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.237082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.237082 (E_RNA)
where:
Base-Base interactions energy: -627.785
where: short stacking energy: -274.881
Base-Backbone interact. energy: -0.016
local terms energy: -281.436313
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -49.265
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -41.910
tors. eta vs tors. theta energy: -84.787
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: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -894.773517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.773517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.773517 (E_RNA)
where:
Base-Base interactions energy: -626.005
where: short stacking energy: -270.397
Base-Backbone interact. energy: -0.333
local terms energy: -268.435537
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -38.865
flat angles C4'-P-C4' energy: -52.934
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -86.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -888.196133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.196133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.196133 (E_RNA)
where:
Base-Base interactions energy: -615.163
where: short stacking energy: -270.061
Base-Backbone interact. energy: 0.308
local terms energy: -273.341017
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -55.725
flat angles P-C4'-P energy: -39.706
tors. eta vs tors. theta energy: -81.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -762.026128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.026128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.026128 (E_RNA)
where:
Base-Base interactions energy: -542.433
where: short stacking energy: -223.260
Base-Backbone interact. energy: -0.416
local terms energy: -219.177145
where:
bonds (distance) C4'-P energy: -34.271
bonds (distance) P-C4' energy: -46.046
flat angles C4'-P-C4' energy: -42.883
flat angles P-C4'-P energy: -28.368
tors. eta vs tors. theta energy: -67.610
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: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -736.840503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.840503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.840503 (E_RNA)
where:
Base-Base interactions energy: -523.144
where: short stacking energy: -223.370
Base-Backbone interact. energy: -0.845
local terms energy: -212.851435
where:
bonds (distance) C4'-P energy: -34.873
bonds (distance) P-C4' energy: -40.830
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -67.002
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: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -607.858345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.858345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.858345 (E_RNA)
where:
Base-Base interactions energy: -407.622
where: short stacking energy: -165.135
Base-Backbone interact. energy: -1.190
local terms energy: -199.046837
where:
bonds (distance) C4'-P energy: -44.306
bonds (distance) P-C4' energy: -50.149
flat angles C4'-P-C4' energy: -50.931
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -40.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -507.941142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.941142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.941142 (E_RNA)
where:
Base-Base interactions energy: -322.100
where: short stacking energy: -138.860
Base-Backbone interact. energy: -0.974
local terms energy: -184.866968
where:
bonds (distance) C4'-P energy: -39.076
bonds (distance) P-C4' energy: -42.586
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -28.834
tors. eta vs tors. theta energy: -37.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -460.938073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.938073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.938073 (E_RNA)
where:
Base-Base interactions energy: -272.502
where: short stacking energy: -140.588
Base-Backbone interact. energy: -1.612
local terms energy: -186.823983
where:
bonds (distance) C4'-P energy: -46.410
bonds (distance) P-C4' energy: -47.810
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -28.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -245.529176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.529176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.529176 (E_RNA)
where:
Base-Base interactions energy: -109.074
where: short stacking energy: -60.794
Base-Backbone interact. energy: 1.765
local terms energy: -138.220307
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -40.652
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: 5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -204.171588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.171588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.171588 (E_RNA)
where:
Base-Base interactions energy: -85.334
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.187
local terms energy: -118.650650
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -46.866
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: 6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -909.998449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.998449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.998449 (E_RNA)
where:
Base-Base interactions energy: -643.185
where: short stacking energy: -278.650
Base-Backbone interact. energy: -0.006
local terms energy: -266.807414
where:
bonds (distance) C4'-P energy: -40.753
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -37.299
tors. eta vs tors. theta energy: -82.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -890.470736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.470736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.470736 (E_RNA)
where:
Base-Base interactions energy: -618.128
where: short stacking energy: -257.613
Base-Backbone interact. energy: -0.220
local terms energy: -272.123060
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -55.166
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -81.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -878.341606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.341606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.341606 (E_RNA)
where:
Base-Base interactions energy: -620.535
where: short stacking energy: -263.899
Base-Backbone interact. energy: -0.581
local terms energy: -257.225112
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -40.886
tors. eta vs tors. theta energy: -80.763
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: 250
Temperature: 1.050000
Total energy: -740.601956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.601956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.601956 (E_RNA)
where:
Base-Base interactions energy: -502.968
where: short stacking energy: -207.350
Base-Backbone interact. energy: -0.058
local terms energy: -237.575787
where:
bonds (distance) C4'-P energy: -43.964
bonds (distance) P-C4' energy: -47.450
flat angles C4'-P-C4' energy: -47.588
flat angles P-C4'-P energy: -37.025
tors. eta vs tors. theta energy: -61.549
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: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -736.718026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.718026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.718026 (E_RNA)
where:
Base-Base interactions energy: -494.216
where: short stacking energy: -199.471
Base-Backbone interact. energy: -3.092
local terms energy: -239.410884
where:
bonds (distance) C4'-P energy: -38.397
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -46.064
flat angles P-C4'-P energy: -38.417
tors. eta vs tors. theta energy: -67.151
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: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -575.413179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.413179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.413179 (E_RNA)
where:
Base-Base interactions energy: -383.215
where: short stacking energy: -150.712
Base-Backbone interact. energy: -2.455
local terms energy: -189.744035
where:
bonds (distance) C4'-P energy: -27.922
bonds (distance) P-C4' energy: -45.711
flat angles C4'-P-C4' energy: -45.349
flat angles P-C4'-P energy: -26.997
tors. eta vs tors. theta energy: -43.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -483.297249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.297249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.297249 (E_RNA)
where:
Base-Base interactions energy: -292.348
where: short stacking energy: -151.182
Base-Backbone interact. energy: -1.068
local terms energy: -189.882034
where:
bonds (distance) C4'-P energy: -38.541
bonds (distance) P-C4' energy: -42.335
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: -34.897
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: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -431.171705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.171705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.171705 (E_RNA)
where:
Base-Base interactions energy: -272.449
where: short stacking energy: -129.660
Base-Backbone interact. energy: -3.043
local terms energy: -155.679965
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -26.392
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -33.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -284.367178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.367178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.367178 (E_RNA)
where:
Base-Base interactions energy: -154.450
where: short stacking energy: -74.943
Base-Backbone interact. energy: 5.738
local terms energy: -135.655860
where:
bonds (distance) C4'-P energy: -36.695
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -39.897
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: 7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -201.746105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.746105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.746105 (E_RNA)
where:
Base-Base interactions energy: -70.463
where: short stacking energy: -66.403
Base-Backbone interact. energy: -0.613
local terms energy: -130.670506
where:
bonds (distance) C4'-P energy: -35.222
bonds (distance) P-C4' energy: -36.925
flat angles C4'-P-C4' energy: -32.036
flat angles P-C4'-P energy: -28.475
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -911.394675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.394675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.394675 (E_RNA)
where:
Base-Base interactions energy: -642.336
where: short stacking energy: -275.553
Base-Backbone interact. energy: 1.118
local terms energy: -270.177114
where:
bonds (distance) C4'-P energy: -50.766
bonds (distance) P-C4' energy: -38.049
flat angles C4'-P-C4' energy: -53.121
flat angles P-C4'-P energy: -40.096
tors. eta vs tors. theta energy: -88.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -891.645907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.645907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.645907 (E_RNA)
where:
Base-Base interactions energy: -641.182
where: short stacking energy: -279.209
Base-Backbone interact. energy: -0.306
local terms energy: -250.157666
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -32.989
tors. eta vs tors. theta energy: -82.729
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: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -886.739610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.739610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.739610 (E_RNA)
where:
Base-Base interactions energy: -624.089
where: short stacking energy: -271.029
Base-Backbone interact. energy: -1.504
local terms energy: -261.146281
where:
bonds (distance) C4'-P energy: -35.541
bonds (distance) P-C4' energy: -44.028
flat angles C4'-P-C4' energy: -58.993
flat angles P-C4'-P energy: -40.202
tors. eta vs tors. theta energy: -82.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -732.557510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.557510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.557510 (E_RNA)
where:
Base-Base interactions energy: -500.927
where: short stacking energy: -205.103
Base-Backbone interact. energy: -2.143
local terms energy: -229.487279
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -51.154
flat angles C4'-P-C4' energy: -46.879
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -60.805
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -735.828668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.828668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.828668 (E_RNA)
where:
Base-Base interactions energy: -494.175
where: short stacking energy: -207.299
Base-Backbone interact. energy: -0.049
local terms energy: -241.604848
where:
bonds (distance) C4'-P energy: -46.065
bonds (distance) P-C4' energy: -41.173
flat angles C4'-P-C4' energy: -50.584
flat angles P-C4'-P energy: -36.140
tors. eta vs tors. theta energy: -67.642
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: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -562.007772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.007772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.007772 (E_RNA)
where:
Base-Base interactions energy: -367.986
where: short stacking energy: -156.696
Base-Backbone interact. energy: 0.151
local terms energy: -194.172766
where:
bonds (distance) C4'-P energy: -34.837
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -45.740
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -37.903
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: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -489.319911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.319911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.319911 (E_RNA)
where:
Base-Base interactions energy: -317.459
where: short stacking energy: -154.782
Base-Backbone interact. energy: 1.584
local terms energy: -173.444731
where:
bonds (distance) C4'-P energy: -38.812
bonds (distance) P-C4' energy: -33.170
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -24.983
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: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -431.892656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.892656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.892656 (E_RNA)
where:
Base-Base interactions energy: -261.888
where: short stacking energy: -130.726
Base-Backbone interact. energy: 1.426
local terms energy: -171.430652
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -34.105
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -29.055
tors. eta vs tors. theta energy: -28.174
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: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -331.163634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.163634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.163634 (E_RNA)
where:
Base-Base interactions energy: -167.459
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.895
local terms energy: -162.809460
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -253.506243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.506243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.506243 (E_RNA)
where:
Base-Base interactions energy: -125.800
where: short stacking energy: -78.474
Base-Backbone interact. energy: 1.735
local terms energy: -129.441923
where:
bonds (distance) C4'-P energy: -36.279
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -909.632087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.632087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.632087 (E_RNA)
where:
Base-Base interactions energy: -637.812
where: short stacking energy: -273.604
Base-Backbone interact. energy: -0.290
local terms energy: -271.530478
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -47.471
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -38.357
tors. eta vs tors. theta energy: -83.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -897.204622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.204622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.204622 (E_RNA)
where:
Base-Base interactions energy: -628.773
where: short stacking energy: -272.605
Base-Backbone interact. energy: 0.588
local terms energy: -269.020254
where:
bonds (distance) C4'-P energy: -39.036
bonds (distance) P-C4' energy: -51.598
flat angles C4'-P-C4' energy: -54.088
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -85.284
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: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -887.007942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.007942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.007942 (E_RNA)
where:
Base-Base interactions energy: -617.072
where: short stacking energy: -265.408
Base-Backbone interact. energy: -0.670
local terms energy: -269.265572
where:
bonds (distance) C4'-P energy: -40.849
bonds (distance) P-C4' energy: -41.275
flat angles C4'-P-C4' energy: -58.091
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -87.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -752.911043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.911043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.911043 (E_RNA)
where:
Base-Base interactions energy: -534.975
where: short stacking energy: -219.238
Base-Backbone interact. energy: -1.822
local terms energy: -216.113486
where:
bonds (distance) C4'-P energy: -39.143
bonds (distance) P-C4' energy: -39.148
flat angles C4'-P-C4' energy: -46.889
flat angles P-C4'-P energy: -25.752
tors. eta vs tors. theta energy: -65.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -747.049728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.049728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.049728 (E_RNA)
where:
Base-Base interactions energy: -521.023
where: short stacking energy: -220.646
Base-Backbone interact. energy: -0.701
local terms energy: -225.325189
where:
bonds (distance) C4'-P energy: -33.964
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -54.227
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -64.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -547.796882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.796882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.796882 (E_RNA)
where:
Base-Base interactions energy: -374.985
where: short stacking energy: -143.961
Base-Backbone interact. energy: -0.783
local terms energy: -172.029302
where:
bonds (distance) C4'-P energy: -45.249
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -36.967
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -28.584
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: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -540.822582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.822582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.822582 (E_RNA)
where:
Base-Base interactions energy: -348.619
where: short stacking energy: -154.007
Base-Backbone interact. energy: -1.430
local terms energy: -190.774106
where:
bonds (distance) C4'-P energy: -37.263
bonds (distance) P-C4' energy: -46.386
flat angles C4'-P-C4' energy: -44.615
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -36.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -459.817159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.817159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.817159 (E_RNA)
where:
Base-Base interactions energy: -286.983
where: short stacking energy: -124.103
Base-Backbone interact. energy: -2.283
local terms energy: -170.550999
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -41.275
flat angles C4'-P-C4' energy: -43.046
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -322.713997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.713997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.713997 (E_RNA)
where:
Base-Base interactions energy: -176.986
where: short stacking energy: -87.675
Base-Backbone interact. energy: 0.145
local terms energy: -145.872163
where:
bonds (distance) C4'-P energy: -39.138
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -31.233
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -255.749850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.749850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.749850 (E_RNA)
where:
Base-Base interactions energy: -117.205
where: short stacking energy: -91.867
Base-Backbone interact. energy: -1.093
local terms energy: -137.452117
where:
bonds (distance) C4'-P energy: -36.817
bonds (distance) P-C4' energy: -44.565
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -903.057044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.057044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.057044 (E_RNA)
where:
Base-Base interactions energy: -643.212
where: short stacking energy: -276.153
Base-Backbone interact. energy: -0.066
local terms energy: -259.778806
where:
bonds (distance) C4'-P energy: -42.481
bonds (distance) P-C4' energy: -45.461
flat angles C4'-P-C4' energy: -54.594
flat angles P-C4'-P energy: -35.730
tors. eta vs tors. theta energy: -81.512
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: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -897.377106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.377106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.377106 (E_RNA)
where:
Base-Base interactions energy: -630.819
where: short stacking energy: -271.878
Base-Backbone interact. energy: -0.133
local terms energy: -266.424765
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -57.831
flat angles P-C4'-P energy: -46.410
tors. eta vs tors. theta energy: -82.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -885.653261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.653261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.653261 (E_RNA)
where:
Base-Base interactions energy: -628.301
where: short stacking energy: -266.279
Base-Backbone interact. energy: -0.046
local terms energy: -257.306667
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -57.814
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: -79.427
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: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -743.290201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.290201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.290201 (E_RNA)
where:
Base-Base interactions energy: -521.508
where: short stacking energy: -220.573
Base-Backbone interact. energy: -0.892
local terms energy: -220.889957
where:
bonds (distance) C4'-P energy: -33.933
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -47.127
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: -56.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -724.532487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.532487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.532487 (E_RNA)
where:
Base-Base interactions energy: -489.541
where: short stacking energy: -197.769
Base-Backbone interact. energy: -1.422
local terms energy: -233.569182
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -45.550
flat angles C4'-P-C4' energy: -54.385
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -61.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -577.511263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.511263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.511263 (E_RNA)
where:
Base-Base interactions energy: -379.088
where: short stacking energy: -170.427
Base-Backbone interact. energy: -1.232
local terms energy: -197.190780
where:
bonds (distance) C4'-P energy: -37.160
bonds (distance) P-C4' energy: -44.340
flat angles C4'-P-C4' energy: -42.660
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: -39.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -514.097083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.097083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.097083 (E_RNA)
where:
Base-Base interactions energy: -332.616
where: short stacking energy: -151.996
Base-Backbone interact. energy: 0.724
local terms energy: -182.204443
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -52.521
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -17.862
tors. eta vs tors. theta energy: -34.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -470.925170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.925170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.925170 (E_RNA)
where:
Base-Base interactions energy: -288.428
where: short stacking energy: -122.637
Base-Backbone interact. energy: -0.491
local terms energy: -182.006733
where:
bonds (distance) C4'-P energy: -44.640
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -31.172
tors. eta vs tors. theta energy: -33.801
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: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -260.820807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.820807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.820807 (E_RNA)
where:
Base-Base interactions energy: -117.260
where: short stacking energy: -73.606
Base-Backbone interact. energy: -0.807
local terms energy: -142.753549
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -42.435
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -269.400187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.400187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.400187 (E_RNA)
where:
Base-Base interactions energy: -129.425
where: short stacking energy: -74.215
Base-Backbone interact. energy: -0.880
local terms energy: -139.094392
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -41.406
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -904.752643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.752643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.752643 (E_RNA)
where:
Base-Base interactions energy: -637.806
where: short stacking energy: -283.475
Base-Backbone interact. energy: -0.286
local terms energy: -266.661088
where:
bonds (distance) C4'-P energy: -38.437
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -56.246
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -86.257
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -897.285796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.285796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.285796 (E_RNA)
where:
Base-Base interactions energy: -634.089
where: short stacking energy: -275.301
Base-Backbone interact. energy: -0.114
local terms energy: -263.082425
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -53.920
flat angles P-C4'-P energy: -33.016
tors. eta vs tors. theta energy: -83.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -889.249594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.249594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.249594 (E_RNA)
where:
Base-Base interactions energy: -615.988
where: short stacking energy: -257.280
Base-Backbone interact. energy: -0.499
local terms energy: -272.762191
where:
bonds (distance) C4'-P energy: -48.498
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -53.106
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -83.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -774.488437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.488437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.488437 (E_RNA)
where:
Base-Base interactions energy: -542.335
where: short stacking energy: -235.929
Base-Backbone interact. energy: -0.049
local terms energy: -232.103495
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -48.071
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -70.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -745.044551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.044551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.044551 (E_RNA)
where:
Base-Base interactions energy: -519.694
where: short stacking energy: -210.109
Base-Backbone interact. energy: -1.907
local terms energy: -223.443909
where:
bonds (distance) C4'-P energy: -36.464
bonds (distance) P-C4' energy: -42.696
flat angles C4'-P-C4' energy: -49.030
flat angles P-C4'-P energy: -29.556
tors. eta vs tors. theta energy: -65.698
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: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -589.552699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.552699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.552699 (E_RNA)
where:
Base-Base interactions energy: -415.058
where: short stacking energy: -183.388
Base-Backbone interact. energy: 4.820
local terms energy: -179.314874
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -38.292
flat angles C4'-P-C4' energy: -38.025
flat angles P-C4'-P energy: -30.158
tors. eta vs tors. theta energy: -45.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -528.280088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.280088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.280088 (E_RNA)
where:
Base-Base interactions energy: -348.997
where: short stacking energy: -157.248
Base-Backbone interact. energy: 2.100
local terms energy: -181.383358
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -38.524
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -38.497
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: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -442.972404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.972404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.972404 (E_RNA)
where:
Base-Base interactions energy: -272.014
where: short stacking energy: -134.247
Base-Backbone interact. energy: 1.180
local terms energy: -172.138942
where:
bonds (distance) C4'-P energy: -37.903
bonds (distance) P-C4' energy: -35.477
flat angles C4'-P-C4' energy: -38.595
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -30.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -274.777891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.777891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.777891 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -86.163
Base-Backbone interact. energy: -1.086
local terms energy: -131.277095
where:
bonds (distance) C4'-P energy: -32.226
bonds (distance) P-C4' energy: -35.521
flat angles C4'-P-C4' energy: -38.344
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -242.589346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.589346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.589346 (E_RNA)
where:
Base-Base interactions energy: -127.448
where: short stacking energy: -76.208
Base-Backbone interact. energy: 1.259
local terms energy: -116.400451
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -40.952
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: 2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -902.766524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.766524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.766524 (E_RNA)
where:
Base-Base interactions energy: -635.816
where: short stacking energy: -279.932
Base-Backbone interact. energy: -0.961
local terms energy: -265.989809
where:
bonds (distance) C4'-P energy: -46.295
bonds (distance) P-C4' energy: -48.260
flat angles C4'-P-C4' energy: -56.793
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: -79.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -896.523106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.523106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.523106 (E_RNA)
where:
Base-Base interactions energy: -635.364
where: short stacking energy: -257.660
Base-Backbone interact. energy: -0.622
local terms energy: -260.537200
where:
bonds (distance) C4'-P energy: -44.272
bonds (distance) P-C4' energy: -47.574
flat angles C4'-P-C4' energy: -49.975
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -83.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -881.067817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.067817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.067817 (E_RNA)
where:
Base-Base interactions energy: -624.889
where: short stacking energy: -251.004
Base-Backbone interact. energy: 0.701
local terms energy: -256.879447
where:
bonds (distance) C4'-P energy: -38.513
bonds (distance) P-C4' energy: -44.302
flat angles C4'-P-C4' energy: -51.639
flat angles P-C4'-P energy: -41.038
tors. eta vs tors. theta energy: -81.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -797.139986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.139986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.139986 (E_RNA)
where:
Base-Base interactions energy: -557.836
where: short stacking energy: -226.052
Base-Backbone interact. energy: -1.111
local terms energy: -238.192799
where:
bonds (distance) C4'-P energy: -46.249
bonds (distance) P-C4' energy: -40.475
flat angles C4'-P-C4' energy: -48.531
flat angles P-C4'-P energy: -35.801
tors. eta vs tors. theta energy: -67.137
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: 255
Temperature: 1.100000
Total energy: -731.189980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.189980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.189980 (E_RNA)
where:
Base-Base interactions energy: -510.436
where: short stacking energy: -222.455
Base-Backbone interact. energy: -2.405
local terms energy: -218.348493
where:
bonds (distance) C4'-P energy: -36.927
bonds (distance) P-C4' energy: -41.455
flat angles C4'-P-C4' energy: -42.267
flat angles P-C4'-P energy: -33.186
tors. eta vs tors. theta energy: -64.514
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: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -580.916785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.916785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.916785 (E_RNA)
where:
Base-Base interactions energy: -368.006
where: short stacking energy: -158.589
Base-Backbone interact. energy: -0.696
local terms energy: -212.214485
where:
bonds (distance) C4'-P energy: -49.851
bonds (distance) P-C4' energy: -48.389
flat angles C4'-P-C4' energy: -47.635
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -39.220
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: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -542.473984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.473984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.473984 (E_RNA)
where:
Base-Base interactions energy: -355.451
where: short stacking energy: -148.808
Base-Backbone interact. energy: -0.794
local terms energy: -186.228812
where:
bonds (distance) C4'-P energy: -39.962
bonds (distance) P-C4' energy: -43.817
flat angles C4'-P-C4' energy: -39.381
flat angles P-C4'-P energy: -29.380
tors. eta vs tors. theta energy: -33.688
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: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -412.030177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.030177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.030177 (E_RNA)
where:
Base-Base interactions energy: -251.051
where: short stacking energy: -120.166
Base-Backbone interact. energy: -1.456
local terms energy: -159.523121
where:
bonds (distance) C4'-P energy: -34.153
bonds (distance) P-C4' energy: -34.578
flat angles C4'-P-C4' energy: -42.124
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -22.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -255.680775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.680775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.680775 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -69.625
Base-Backbone interact. energy: -2.249
local terms energy: -144.700814
where:
bonds (distance) C4'-P energy: -42.412
bonds (distance) P-C4' energy: -34.689
flat angles C4'-P-C4' energy: -37.337
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -8.492
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: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -211.948790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.948790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.948790 (E_RNA)
where:
Base-Base interactions energy: -80.939
where: short stacking energy: -65.935
Base-Backbone interact. energy: 1.014
local terms energy: -132.023761
where:
bonds (distance) C4'-P energy: -43.756
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -35.721
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: 2.430
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: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -904.431582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.431582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.431582 (E_RNA)
where:
Base-Base interactions energy: -631.234
where: short stacking energy: -273.925
Base-Backbone interact. energy: -0.010
local terms energy: -273.187890
where:
bonds (distance) C4'-P energy: -43.188
bonds (distance) P-C4' energy: -47.875
flat angles C4'-P-C4' energy: -56.694
flat angles P-C4'-P energy: -42.656
tors. eta vs tors. theta energy: -82.775
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: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -894.870319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.870319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.870319 (E_RNA)
where:
Base-Base interactions energy: -629.208
where: short stacking energy: -272.971
Base-Backbone interact. energy: -0.057
local terms energy: -265.604624
where:
bonds (distance) C4'-P energy: -45.589
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -53.323
flat angles P-C4'-P energy: -39.413
tors. eta vs tors. theta energy: -82.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -865.527012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.527012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.527012 (E_RNA)
where:
Base-Base interactions energy: -604.035
where: short stacking energy: -255.014
Base-Backbone interact. energy: -0.441
local terms energy: -261.051787
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -48.925
flat angles C4'-P-C4' energy: -53.790
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -78.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -792.765280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.765280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.765280 (E_RNA)
where:
Base-Base interactions energy: -549.675
where: short stacking energy: -243.827
Base-Backbone interact. energy: -0.717
local terms energy: -242.373032
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -46.561
flat angles C4'-P-C4' energy: -50.288
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -71.544
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: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -731.563496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.563496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.563496 (E_RNA)
where:
Base-Base interactions energy: -507.323
where: short stacking energy: -211.098
Base-Backbone interact. energy: -1.705
local terms energy: -222.534959
where:
bonds (distance) C4'-P energy: -39.719
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -45.207
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -65.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -584.830863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.830863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.830863 (E_RNA)
where:
Base-Base interactions energy: -393.390
where: short stacking energy: -192.900
Base-Backbone interact. energy: -1.231
local terms energy: -190.209426
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -40.797
flat angles C4'-P-C4' energy: -41.450
flat angles P-C4'-P energy: -26.108
tors. eta vs tors. theta energy: -44.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -566.661153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.661153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.661153 (E_RNA)
where:
Base-Base interactions energy: -373.826
where: short stacking energy: -161.414
Base-Backbone interact. energy: -0.781
local terms energy: -192.054710
where:
bonds (distance) C4'-P energy: -39.778
bonds (distance) P-C4' energy: -38.155
flat angles C4'-P-C4' energy: -43.961
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -40.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -407.507988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.507988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.507988 (E_RNA)
where:
Base-Base interactions energy: -256.196
where: short stacking energy: -124.747
Base-Backbone interact. energy: -0.069
local terms energy: -151.242947
where:
bonds (distance) C4'-P energy: -39.561
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -210.393968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.393968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.393968 (E_RNA)
where:
Base-Base interactions energy: -81.026
where: short stacking energy: -53.730
Base-Backbone interact. energy: -0.253
local terms energy: -129.115192
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -40.562
flat angles P-C4'-P energy: -25.629
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -198.684188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.684188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.684188 (E_RNA)
where:
Base-Base interactions energy: -70.037
where: short stacking energy: -58.863
Base-Backbone interact. energy: -1.377
local terms energy: -127.271023
where:
bonds (distance) C4'-P energy: -39.254
bonds (distance) P-C4' energy: -37.635
flat angles C4'-P-C4' energy: -36.182
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: 11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -904.530511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.530511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.530511 (E_RNA)
where:
Base-Base interactions energy: -630.787
where: short stacking energy: -277.596
Base-Backbone interact. energy: -0.093
local terms energy: -273.650818
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -45.194
flat angles C4'-P-C4' energy: -60.058
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -82.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -899.863327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.863327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.863327 (E_RNA)
where:
Base-Base interactions energy: -627.740
where: short stacking energy: -275.053
Base-Backbone interact. energy: -0.006
local terms energy: -272.116582
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -54.575
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -84.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -884.084811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.084811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.084811 (E_RNA)
where:
Base-Base interactions energy: -622.256
where: short stacking energy: -253.555
Base-Backbone interact. energy: -0.188
local terms energy: -261.640938
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -50.652
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -78.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -773.713497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.713497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.713497 (E_RNA)
where:
Base-Base interactions energy: -535.053
where: short stacking energy: -233.695
Base-Backbone interact. energy: -0.258
local terms energy: -238.402393
where:
bonds (distance) C4'-P energy: -48.099
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -47.052
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: -65.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -749.662042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.662042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.662042 (E_RNA)
where:
Base-Base interactions energy: -532.500
where: short stacking energy: -222.828
Base-Backbone interact. energy: 1.315
local terms energy: -218.477691
where:
bonds (distance) C4'-P energy: -33.420
bonds (distance) P-C4' energy: -44.359
flat angles C4'-P-C4' energy: -52.408
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -65.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -606.943619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.943619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.943619 (E_RNA)
where:
Base-Base interactions energy: -417.695
where: short stacking energy: -170.559
Base-Backbone interact. energy: -0.837
local terms energy: -188.411526
where:
bonds (distance) C4'-P energy: -37.989
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -43.206
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: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -551.053499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.053499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.053499 (E_RNA)
where:
Base-Base interactions energy: -356.427
where: short stacking energy: -170.962
Base-Backbone interact. energy: -0.941
local terms energy: -193.685646
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -32.277
flat angles C4'-P-C4' energy: -45.417
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: -49.913
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: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -413.643374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.643374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.643374 (E_RNA)
where:
Base-Base interactions energy: -254.433
where: short stacking energy: -125.236
Base-Backbone interact. energy: 1.505
local terms energy: -160.715029
where:
bonds (distance) C4'-P energy: -40.799
bonds (distance) P-C4' energy: -37.177
flat angles C4'-P-C4' energy: -34.292
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -229.272016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.272016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.272016 (E_RNA)
where:
Base-Base interactions energy: -64.261
where: short stacking energy: -54.249
Base-Backbone interact. energy: -1.317
local terms energy: -163.694116
where:
bonds (distance) C4'-P energy: -52.821
bonds (distance) P-C4' energy: -39.561
flat angles C4'-P-C4' energy: -42.274
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -205.274514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.274514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.274514 (E_RNA)
where:
Base-Base interactions energy: -70.719
where: short stacking energy: -62.059
Base-Backbone interact. energy: 0.235
local terms energy: -134.790328
where:
bonds (distance) C4'-P energy: -39.359
bonds (distance) P-C4' energy: -42.169
flat angles C4'-P-C4' energy: -43.029
flat angles P-C4'-P energy: -19.641
tors. eta vs tors. theta energy: 9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -920.666090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.666090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.666090 (E_RNA)
where:
Base-Base interactions energy: -634.004
where: short stacking energy: -266.992
Base-Backbone interact. energy: -2.069
local terms energy: -284.592665
where:
bonds (distance) C4'-P energy: -48.136
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -60.735
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -85.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -887.610070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.610070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.610070 (E_RNA)
where:
Base-Base interactions energy: -623.166
where: short stacking energy: -262.298
Base-Backbone interact. energy: -0.489
local terms energy: -263.955636
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -44.097
flat angles C4'-P-C4' energy: -49.675
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -85.497
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: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -879.006231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.006231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.006231 (E_RNA)
where:
Base-Base interactions energy: -617.862
where: short stacking energy: -255.255
Base-Backbone interact. energy: -0.466
local terms energy: -260.678989
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -50.583
flat angles C4'-P-C4' energy: -47.892
flat angles P-C4'-P energy: -38.206
tors. eta vs tors. theta energy: -77.927
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: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -802.980986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.980986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.980986 (E_RNA)
where:
Base-Base interactions energy: -540.827
where: short stacking energy: -238.229
Base-Backbone interact. energy: -0.360
local terms energy: -261.794014
where:
bonds (distance) C4'-P energy: -50.207
bonds (distance) P-C4' energy: -51.221
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -33.152
tors. eta vs tors. theta energy: -73.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -741.511916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.511916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.511916 (E_RNA)
where:
Base-Base interactions energy: -520.816
where: short stacking energy: -222.124
Base-Backbone interact. energy: 1.267
local terms energy: -221.962667
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -41.883
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -68.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -611.915670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.915670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.915670 (E_RNA)
where:
Base-Base interactions energy: -405.672
where: short stacking energy: -177.659
Base-Backbone interact. energy: -1.941
local terms energy: -204.303315
where:
bonds (distance) C4'-P energy: -43.250
bonds (distance) P-C4' energy: -43.381
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: -49.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -572.699302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.699302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.699302 (E_RNA)
where:
Base-Base interactions energy: -387.347
where: short stacking energy: -169.170
Base-Backbone interact. energy: -1.105
local terms energy: -184.248031
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -38.925
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -46.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -422.631842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.631842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.631842 (E_RNA)
where:
Base-Base interactions energy: -267.562
where: short stacking energy: -143.839
Base-Backbone interact. energy: -1.419
local terms energy: -153.651359
where:
bonds (distance) C4'-P energy: -31.943
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -29.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -238.282166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.282166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.282166 (E_RNA)
where:
Base-Base interactions energy: -93.432
where: short stacking energy: -61.811
Base-Backbone interact. energy: -1.052
local terms energy: -143.797810
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -41.823
flat angles C4'-P-C4' energy: -38.395
flat angles P-C4'-P energy: -30.035
tors. eta vs tors. theta energy: 5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -207.021545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.021545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.021545 (E_RNA)
where:
Base-Base interactions energy: -75.283
where: short stacking energy: -69.191
Base-Backbone interact. energy: -1.417
local terms energy: -130.321149
where:
bonds (distance) C4'-P energy: -35.980
bonds (distance) P-C4' energy: -43.657
flat angles C4'-P-C4' energy: -26.325
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -911.819295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.819295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.819295 (E_RNA)
where:
Base-Base interactions energy: -645.965
where: short stacking energy: -274.472
Base-Backbone interact. energy: -0.603
local terms energy: -265.250795
where:
bonds (distance) C4'-P energy: -37.187
bonds (distance) P-C4' energy: -49.919
flat angles C4'-P-C4' energy: -57.049
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -81.034
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: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -903.141570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.141570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.141570 (E_RNA)
where:
Base-Base interactions energy: -634.740
where: short stacking energy: -273.497
Base-Backbone interact. energy: -0.162
local terms energy: -268.240336
where:
bonds (distance) C4'-P energy: -44.181
bonds (distance) P-C4' energy: -48.096
flat angles C4'-P-C4' energy: -54.402
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -80.409
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: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -892.054946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.054946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.054946 (E_RNA)
where:
Base-Base interactions energy: -629.111
where: short stacking energy: -265.695
Base-Backbone interact. energy: -0.271
local terms energy: -262.672897
where:
bonds (distance) C4'-P energy: -39.193
bonds (distance) P-C4' energy: -48.757
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -83.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -783.399082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.399082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.399082 (E_RNA)
where:
Base-Base interactions energy: -554.404
where: short stacking energy: -223.663
Base-Backbone interact. energy: -0.184
local terms energy: -228.810479
where:
bonds (distance) C4'-P energy: -37.370
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -42.351
flat angles P-C4'-P energy: -32.904
tors. eta vs tors. theta energy: -68.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -739.149742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.149742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.149742 (E_RNA)
where:
Base-Base interactions energy: -517.617
where: short stacking energy: -221.678
Base-Backbone interact. energy: -2.479
local terms energy: -219.053939
where:
bonds (distance) C4'-P energy: -37.208
bonds (distance) P-C4' energy: -41.569
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -71.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -583.338766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.338766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.338766 (E_RNA)
where:
Base-Base interactions energy: -387.148
where: short stacking energy: -190.598
Base-Backbone interact. energy: -1.006
local terms energy: -195.184919
where:
bonds (distance) C4'-P energy: -37.501
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -47.443
flat angles P-C4'-P energy: -30.649
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: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -596.703554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.703554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.703554 (E_RNA)
where:
Base-Base interactions energy: -399.197
where: short stacking energy: -186.272
Base-Backbone interact. energy: -1.766
local terms energy: -195.741178
where:
bonds (distance) C4'-P energy: -37.989
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -52.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -434.530497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.530497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.530497 (E_RNA)
where:
Base-Base interactions energy: -275.263
where: short stacking energy: -131.360
Base-Backbone interact. energy: -0.930
local terms energy: -158.338022
where:
bonds (distance) C4'-P energy: -45.018
bonds (distance) P-C4' energy: -31.154
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -29.046
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -214.258033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.258033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.258033 (E_RNA)
where:
Base-Base interactions energy: -77.196
where: short stacking energy: -61.087
Base-Backbone interact. energy: 0.331
local terms energy: -137.392431
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -39.411
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -205.154114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.154114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.154114 (E_RNA)
where:
Base-Base interactions energy: -65.947
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.725
local terms energy: -138.481982
where:
bonds (distance) C4'-P energy: -40.468
bonds (distance) P-C4' energy: -44.539
flat angles C4'-P-C4' energy: -34.212
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: 0.342
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: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -911.867960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.867960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.867960 (E_RNA)
where:
Base-Base interactions energy: -639.161
where: short stacking energy: -276.799
Base-Backbone interact. energy: -0.670
local terms energy: -272.037388
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -44.314
flat angles C4'-P-C4' energy: -57.158
flat angles P-C4'-P energy: -39.284
tors. eta vs tors. theta energy: -84.150
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: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -898.959062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.959062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.959062 (E_RNA)
where:
Base-Base interactions energy: -629.503
where: short stacking energy: -277.217
Base-Backbone interact. energy: 0.330
local terms energy: -269.786645
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -47.689
flat angles C4'-P-C4' energy: -53.163
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -83.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -894.008157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.008157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.008157 (E_RNA)
where:
Base-Base interactions energy: -631.766
where: short stacking energy: -259.451
Base-Backbone interact. energy: -0.111
local terms energy: -262.131377
where:
bonds (distance) C4'-P energy: -53.161
bonds (distance) P-C4' energy: -41.185
flat angles C4'-P-C4' energy: -49.319
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -82.814
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: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -794.983323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.983323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.983323 (E_RNA)
where:
Base-Base interactions energy: -541.617
where: short stacking energy: -239.586
Base-Backbone interact. energy: -0.367
local terms energy: -252.998781
where:
bonds (distance) C4'-P energy: -47.511
bonds (distance) P-C4' energy: -45.112
flat angles C4'-P-C4' energy: -51.975
flat angles P-C4'-P energy: -32.795
tors. eta vs tors. theta energy: -75.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -719.093962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.093962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.093962 (E_RNA)
where:
Base-Base interactions energy: -500.510
where: short stacking energy: -218.484
Base-Backbone interact. energy: -0.546
local terms energy: -218.037425
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -68.804
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: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -604.169770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.169770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.169770 (E_RNA)
where:
Base-Base interactions energy: -389.160
where: short stacking energy: -185.623
Base-Backbone interact. energy: 1.955
local terms energy: -216.964558
where:
bonds (distance) C4'-P energy: -45.033
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -45.787
flat angles P-C4'-P energy: -40.907
tors. eta vs tors. theta energy: -48.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -556.099138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.099138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.099138 (E_RNA)
where:
Base-Base interactions energy: -372.991
where: short stacking energy: -163.560
Base-Backbone interact. energy: -0.595
local terms energy: -182.512668
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -38.724
flat angles C4'-P-C4' energy: -35.310
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: -41.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -450.828102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.828102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.828102 (E_RNA)
where:
Base-Base interactions energy: -273.509
where: short stacking energy: -136.410
Base-Backbone interact. energy: -0.681
local terms energy: -176.637730
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -37.929
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -213.612119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.612119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.612119 (E_RNA)
where:
Base-Base interactions energy: -72.642
where: short stacking energy: -55.485
Base-Backbone interact. energy: 0.192
local terms energy: -141.162193
where:
bonds (distance) C4'-P energy: -44.160
bonds (distance) P-C4' energy: -42.487
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: 6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -208.504576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504576 (E_RNA)
where:
Base-Base interactions energy: -76.663
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.287
local terms energy: -131.554118
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -41.343
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -912.229654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.229654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.229654 (E_RNA)
where:
Base-Base interactions energy: -644.699
where: short stacking energy: -282.029
Base-Backbone interact. energy: -0.315
local terms energy: -267.215539
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -44.023
flat angles C4'-P-C4' energy: -54.363
flat angles P-C4'-P energy: -39.965
tors. eta vs tors. theta energy: -82.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -914.459080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.459080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.459080 (E_RNA)
where:
Base-Base interactions energy: -653.955
where: short stacking energy: -270.682
Base-Backbone interact. energy: -0.946
local terms energy: -259.558071
where:
bonds (distance) C4'-P energy: -43.001
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -55.196
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -78.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -886.667434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.667434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.667434 (E_RNA)
where:
Base-Base interactions energy: -625.327
where: short stacking energy: -262.973
Base-Backbone interact. energy: -0.378
local terms energy: -260.962288
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -41.123
flat angles C4'-P-C4' energy: -54.509
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -81.914
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: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -774.845775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.845775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.845775 (E_RNA)
where:
Base-Base interactions energy: -555.627
where: short stacking energy: -226.543
Base-Backbone interact. energy: -0.465
local terms energy: -218.753804
where:
bonds (distance) C4'-P energy: -36.141
bonds (distance) P-C4' energy: -43.435
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -65.610
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: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -710.410464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.410464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.410464 (E_RNA)
where:
Base-Base interactions energy: -488.807
where: short stacking energy: -212.452
Base-Backbone interact. energy: -0.734
local terms energy: -220.870037
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -41.423
flat angles C4'-P-C4' energy: -45.627
flat angles P-C4'-P energy: -27.732
tors. eta vs tors. theta energy: -65.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -589.219530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.219530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.219530 (E_RNA)
where:
Base-Base interactions energy: -386.288
where: short stacking energy: -180.121
Base-Backbone interact. energy: -0.731
local terms energy: -202.200886
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -42.370
flat angles C4'-P-C4' energy: -45.748
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -45.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -490.834065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.834065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.834065 (E_RNA)
where:
Base-Base interactions energy: -328.111
where: short stacking energy: -161.828
Base-Backbone interact. energy: -0.364
local terms energy: -162.358703
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -36.589
flat angles C4'-P-C4' energy: -35.481
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -34.924
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: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -450.061269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.061269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.061269 (E_RNA)
where:
Base-Base interactions energy: -275.314
where: short stacking energy: -135.073
Base-Backbone interact. energy: -1.096
local terms energy: -173.650875
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -37.103
flat angles C4'-P-C4' energy: -50.358
flat angles P-C4'-P energy: -24.620
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -209.424183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.424183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.424183 (E_RNA)
where:
Base-Base interactions energy: -85.755
where: short stacking energy: -80.183
Base-Backbone interact. energy: -0.531
local terms energy: -123.138643
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -212.410162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.410162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.410162 (E_RNA)
where:
Base-Base interactions energy: -82.376
where: short stacking energy: -71.368
Base-Backbone interact. energy: 2.615
local terms energy: -132.649485
where:
bonds (distance) C4'-P energy: -46.327
bonds (distance) P-C4' energy: -38.156
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -902.625165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.625165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.625165 (E_RNA)
where:
Base-Base interactions energy: -629.971
where: short stacking energy: -281.210
Base-Backbone interact. energy: 0.993
local terms energy: -273.646605
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -48.621
flat angles C4'-P-C4' energy: -52.418
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -87.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -902.367671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.367671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.367671 (E_RNA)
where:
Base-Base interactions energy: -645.345
where: short stacking energy: -266.249
Base-Backbone interact. energy: -0.154
local terms energy: -256.869275
where:
bonds (distance) C4'-P energy: -46.012
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -51.043
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: -80.742
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: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -792.511559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.511559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.511559 (E_RNA)
where:
Base-Base interactions energy: -562.022
where: short stacking energy: -228.729
Base-Backbone interact. energy: -0.517
local terms energy: -229.973370
where:
bonds (distance) C4'-P energy: -48.525
bonds (distance) P-C4' energy: -35.898
flat angles C4'-P-C4' energy: -45.823
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -64.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -868.054372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.054372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.054372 (E_RNA)
where:
Base-Base interactions energy: -623.666
where: short stacking energy: -255.041
Base-Backbone interact. energy: -1.005
local terms energy: -243.383201
where:
bonds (distance) C4'-P energy: -44.477
bonds (distance) P-C4' energy: -33.216
flat angles C4'-P-C4' energy: -47.654
flat angles P-C4'-P energy: -40.048
tors. eta vs tors. theta energy: -77.988
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: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -715.505461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.505461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.505461 (E_RNA)
where:
Base-Base interactions energy: -510.757
where: short stacking energy: -218.553
Base-Backbone interact. energy: -0.972
local terms energy: -203.775792
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -40.118
flat angles C4'-P-C4' energy: -41.951
flat angles P-C4'-P energy: -26.699
tors. eta vs tors. theta energy: -63.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -580.133853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.133853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.133853 (E_RNA)
where:
Base-Base interactions energy: -394.279
where: short stacking energy: -181.832
Base-Backbone interact. energy: 0.557
local terms energy: -186.411702
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -28.272
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -32.175
tors. eta vs tors. theta energy: -40.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -455.307259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.307259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.307259 (E_RNA)
where:
Base-Base interactions energy: -266.249
where: short stacking energy: -117.205
Base-Backbone interact. energy: -0.533
local terms energy: -188.525113
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -42.128
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -27.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -469.726233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.726233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.726233 (E_RNA)
where:
Base-Base interactions energy: -300.250
where: short stacking energy: -135.598
Base-Backbone interact. energy: 1.916
local terms energy: -171.392596
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -29.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -246.918896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.918896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.918896 (E_RNA)
where:
Base-Base interactions energy: -93.667
where: short stacking energy: -81.580
Base-Backbone interact. energy: -1.333
local terms energy: -151.919304
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -37.285
flat angles C4'-P-C4' energy: -44.795
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -202.395071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.395071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.395071 (E_RNA)
where:
Base-Base interactions energy: -72.581
where: short stacking energy: -60.235
Base-Backbone interact. energy: -0.266
local terms energy: -129.548451
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -38.522
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: 2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -906.367582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.367582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.367582 (E_RNA)
where:
Base-Base interactions energy: -632.744
where: short stacking energy: -276.158
Base-Backbone interact. energy: -0.013
local terms energy: -273.610721
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -50.537
flat angles C4'-P-C4' energy: -51.347
flat angles P-C4'-P energy: -41.223
tors. eta vs tors. theta energy: -81.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -905.771145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.771145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.771145 (E_RNA)
where:
Base-Base interactions energy: -655.394
where: short stacking energy: -267.181
Base-Backbone interact. energy: 1.249
local terms energy: -251.625986
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -45.175
flat angles C4'-P-C4' energy: -54.803
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: -79.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -779.466893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.466893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.466893 (E_RNA)
where:
Base-Base interactions energy: -553.416
where: short stacking energy: -237.048
Base-Backbone interact. energy: -1.885
local terms energy: -224.165673
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -35.075
flat angles C4'-P-C4' energy: -52.204
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -71.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -862.781264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.781264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.781264 (E_RNA)
where:
Base-Base interactions energy: -610.493
where: short stacking energy: -254.385
Base-Backbone interact. energy: -0.199
local terms energy: -252.089452
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -49.395
flat angles C4'-P-C4' energy: -53.080
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: -78.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -700.287099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.287099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.287099 (E_RNA)
where:
Base-Base interactions energy: -489.964
where: short stacking energy: -196.956
Base-Backbone interact. energy: -1.885
local terms energy: -208.438129
where:
bonds (distance) C4'-P energy: -44.575
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -43.288
flat angles P-C4'-P energy: -24.999
tors. eta vs tors. theta energy: -56.688
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: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -588.476743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.476743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.476743 (E_RNA)
where:
Base-Base interactions energy: -389.419
where: short stacking energy: -175.882
Base-Backbone interact. energy: -0.446
local terms energy: -198.611279
where:
bonds (distance) C4'-P energy: -38.571
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -40.608
flat angles P-C4'-P energy: -30.634
tors. eta vs tors. theta energy: -41.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -465.088210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.088210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.088210 (E_RNA)
where:
Base-Base interactions energy: -276.135
where: short stacking energy: -141.161
Base-Backbone interact. energy: -0.609
local terms energy: -188.344691
where:
bonds (distance) C4'-P energy: -40.836
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -38.043
flat angles P-C4'-P energy: -29.417
tors. eta vs tors. theta energy: -35.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -514.481781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.481781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.481781 (E_RNA)
where:
Base-Base interactions energy: -329.046
where: short stacking energy: -148.334
Base-Backbone interact. energy: -0.795
local terms energy: -184.641200
where:
bonds (distance) C4'-P energy: -43.268
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -45.122
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -32.400
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: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -209.679855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.679855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.679855 (E_RNA)
where:
Base-Base interactions energy: -79.008
where: short stacking energy: -69.999
Base-Backbone interact. energy: -0.945
local terms energy: -129.726238
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -36.040
flat angles C4'-P-C4' energy: -43.206
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -204.893595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.893595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.893595 (E_RNA)
where:
Base-Base interactions energy: -90.066
where: short stacking energy: -75.958
Base-Backbone interact. energy: 1.280
local terms energy: -116.107426
where:
bonds (distance) C4'-P energy: -38.298
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: 4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -913.432179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.432179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.432179 (E_RNA)
where:
Base-Base interactions energy: -654.209
where: short stacking energy: -264.631
Base-Backbone interact. energy: 0.859
local terms energy: -260.082921
where:
bonds (distance) C4'-P energy: -46.121
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -79.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -891.850332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.850332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.850332 (E_RNA)
where:
Base-Base interactions energy: -622.302
where: short stacking energy: -271.548
Base-Backbone interact. energy: -0.246
local terms energy: -269.302334
where:
bonds (distance) C4'-P energy: -42.679
bonds (distance) P-C4' energy: -50.866
flat angles C4'-P-C4' energy: -54.271
flat angles P-C4'-P energy: -37.636
tors. eta vs tors. theta energy: -83.851
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: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -877.018156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.018156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.018156 (E_RNA)
where:
Base-Base interactions energy: -619.486
where: short stacking energy: -254.605
Base-Backbone interact. energy: -1.436
local terms energy: -256.095303
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -51.535
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -79.278
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: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -801.914540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.914540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.914540 (E_RNA)
where:
Base-Base interactions energy: -548.889
where: short stacking energy: -233.804
Base-Backbone interact. energy: -0.724
local terms energy: -252.300965
where:
bonds (distance) C4'-P energy: -46.944
bonds (distance) P-C4' energy: -37.458
flat angles C4'-P-C4' energy: -50.998
flat angles P-C4'-P energy: -44.057
tors. eta vs tors. theta energy: -72.844
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: -707.470658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.470658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.470658 (E_RNA)
where:
Base-Base interactions energy: -493.180
where: short stacking energy: -211.932
Base-Backbone interact. energy: -0.753
local terms energy: -213.536983
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -48.822
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -64.804
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: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -604.571903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.571903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.571903 (E_RNA)
where:
Base-Base interactions energy: -404.860
where: short stacking energy: -171.998
Base-Backbone interact. energy: 0.194
local terms energy: -199.906161
where:
bonds (distance) C4'-P energy: -36.085
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -48.908
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -46.676
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: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -529.500197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.500197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.500197 (E_RNA)
where:
Base-Base interactions energy: -339.742
where: short stacking energy: -136.079
Base-Backbone interact. energy: -0.904
local terms energy: -188.853624
where:
bonds (distance) C4'-P energy: -44.959
bonds (distance) P-C4' energy: -40.585
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -30.919
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: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -446.217499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.217499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.217499 (E_RNA)
where:
Base-Base interactions energy: -254.257
where: short stacking energy: -130.688
Base-Backbone interact. energy: -0.808
local terms energy: -191.152332
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -44.688
flat angles C4'-P-C4' energy: -42.033
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -38.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -213.672700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.672700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.672700 (E_RNA)
where:
Base-Base interactions energy: -87.230
where: short stacking energy: -69.251
Base-Backbone interact. energy: 0.361
local terms energy: -126.803845
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: 3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -207.728523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.728523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.728523 (E_RNA)
where:
Base-Base interactions energy: -64.997
where: short stacking energy: -58.436
Base-Backbone interact. energy: -0.826
local terms energy: -141.905610
where:
bonds (distance) C4'-P energy: -42.790
bonds (distance) P-C4' energy: -42.346
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -14.630
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)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -906.737220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.737220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.737220 (E_RNA)
where:
Base-Base interactions energy: -655.194
where: short stacking energy: -267.143
Base-Backbone interact. energy: -0.742
local terms energy: -250.801820
where:
bonds (distance) C4'-P energy: -44.430
bonds (distance) P-C4' energy: -34.871
flat angles C4'-P-C4' energy: -56.108
flat angles P-C4'-P energy: -36.366
tors. eta vs tors. theta energy: -79.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -901.677976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.677976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.677976 (E_RNA)
where:
Base-Base interactions energy: -626.394
where: short stacking energy: -276.424
Base-Backbone interact. energy: -0.011
local terms energy: -275.273685
where:
bonds (distance) C4'-P energy: -44.439
bonds (distance) P-C4' energy: -53.892
flat angles C4'-P-C4' energy: -56.830
flat angles P-C4'-P energy: -33.534
tors. eta vs tors. theta energy: -86.578
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -867.447270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.447270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.447270 (E_RNA)
where:
Base-Base interactions energy: -610.064
where: short stacking energy: -257.269
Base-Backbone interact. energy: -0.973
local terms energy: -256.409497
where:
bonds (distance) C4'-P energy: -45.737
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -57.564
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -82.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -738.636685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.636685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.636685 (E_RNA)
where:
Base-Base interactions energy: -508.004
where: short stacking energy: -218.238
Base-Backbone interact. energy: -1.305
local terms energy: -229.327157
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -36.728
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -63.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -768.592812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.592812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.592812 (E_RNA)
where:
Base-Base interactions energy: -550.939
where: short stacking energy: -227.868
Base-Backbone interact. energy: -0.823
local terms energy: -216.831145
where:
bonds (distance) C4'-P energy: -32.541
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -47.050
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -67.395
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -589.543212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.543212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.543212 (E_RNA)
where:
Base-Base interactions energy: -401.317
where: short stacking energy: -175.297
Base-Backbone interact. energy: 1.291
local terms energy: -189.517802
where:
bonds (distance) C4'-P energy: -38.996
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -38.055
flat angles P-C4'-P energy: -33.195
tors. eta vs tors. theta energy: -38.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -540.545261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.545261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.545261 (E_RNA)
where:
Base-Base interactions energy: -356.815
where: short stacking energy: -163.998
Base-Backbone interact. energy: -1.755
local terms energy: -181.975626
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -30.888
flat angles C4'-P-C4' energy: -46.488
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -32.049
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: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -391.084359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.084359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.084359 (E_RNA)
where:
Base-Base interactions energy: -229.644
where: short stacking energy: -119.294
Base-Backbone interact. energy: 0.525
local terms energy: -161.964879
where:
bonds (distance) C4'-P energy: -33.441
bonds (distance) P-C4' energy: -41.197
flat angles C4'-P-C4' energy: -40.104
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -248.323427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.323427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.323427 (E_RNA)
where:
Base-Base interactions energy: -132.901
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.876
local terms energy: -114.546867
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -41.229
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -26.618
tors. eta vs tors. theta energy: 10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -196.571839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.571839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.571839 (E_RNA)
where:
Base-Base interactions energy: -65.846
where: short stacking energy: -59.222
Base-Backbone interact. energy: -1.166
local terms energy: -129.559745
where:
bonds (distance) C4'-P energy: -28.918
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -895.910270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.910270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.910270 (E_RNA)
where:
Base-Base interactions energy: -622.417
where: short stacking energy: -275.947
Base-Backbone interact. energy: -0.485
local terms energy: -273.008093
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -46.531
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -37.546
tors. eta vs tors. theta energy: -83.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -889.175018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.175018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.175018 (E_RNA)
where:
Base-Base interactions energy: -636.227
where: short stacking energy: -261.841
Base-Backbone interact. energy: -0.092
local terms energy: -252.855807
where:
bonds (distance) C4'-P energy: -44.272
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -53.098
flat angles P-C4'-P energy: -33.634
tors. eta vs tors. theta energy: -79.671
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: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -869.085019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.085019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.085019 (E_RNA)
where:
Base-Base interactions energy: -619.907
where: short stacking energy: -261.328
Base-Backbone interact. energy: -0.205
local terms energy: -248.972750
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -42.520
flat angles C4'-P-C4' energy: -52.014
flat angles P-C4'-P energy: -39.640
tors. eta vs tors. theta energy: -74.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -716.699546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.699546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.699546 (E_RNA)
where:
Base-Base interactions energy: -499.033
where: short stacking energy: -200.868
Base-Backbone interact. energy: -1.373
local terms energy: -216.293799
where:
bonds (distance) C4'-P energy: -40.096
bonds (distance) P-C4' energy: -40.700
flat angles C4'-P-C4' energy: -40.102
flat angles P-C4'-P energy: -34.606
tors. eta vs tors. theta energy: -60.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -752.236653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.236653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.236653 (E_RNA)
where:
Base-Base interactions energy: -524.291
where: short stacking energy: -219.039
Base-Backbone interact. energy: -0.495
local terms energy: -227.450841
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -64.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -618.738534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.738534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.738534 (E_RNA)
where:
Base-Base interactions energy: -403.577
where: short stacking energy: -188.754
Base-Backbone interact. energy: -0.034
local terms energy: -215.127695
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -39.274
flat angles C4'-P-C4' energy: -50.759
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -57.824
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: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -551.435127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.435127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.435127 (E_RNA)
where:
Base-Base interactions energy: -353.826
where: short stacking energy: -171.121
Base-Backbone interact. energy: 1.239
local terms energy: -198.848315
where:
bonds (distance) C4'-P energy: -40.878
bonds (distance) P-C4' energy: -44.737
flat angles C4'-P-C4' energy: -43.437
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -43.426
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: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -388.936528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.936528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.936528 (E_RNA)
where:
Base-Base interactions energy: -236.860
where: short stacking energy: -116.936
Base-Backbone interact. energy: 0.386
local terms energy: -152.462584
where:
bonds (distance) C4'-P energy: -31.914
bonds (distance) P-C4' energy: -39.748
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -14.448
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: 266
Temperature: 1.300000
Total energy: -265.733941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.733941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.733941 (E_RNA)
where:
Base-Base interactions energy: -131.575
where: short stacking energy: -57.423
Base-Backbone interact. energy: 0.151
local terms energy: -134.310587
where:
bonds (distance) C4'-P energy: -44.169
bonds (distance) P-C4' energy: -47.477
flat angles C4'-P-C4' energy: -29.475
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: 4.614
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: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -221.183130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.183130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.183130 (E_RNA)
where:
Base-Base interactions energy: -95.285
where: short stacking energy: -53.706
Base-Backbone interact. energy: -0.664
local terms energy: -125.234053
where:
bonds (distance) C4'-P energy: -37.578
bonds (distance) P-C4' energy: -42.316
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -901.490954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.490954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.490954 (E_RNA)
where:
Base-Base interactions energy: -642.640
where: short stacking energy: -273.534
Base-Backbone interact. energy: -0.424
local terms energy: -258.427073
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -49.827
flat angles P-C4'-P energy: -34.633
tors. eta vs tors. theta energy: -83.734
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: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -886.006323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.006323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.006323 (E_RNA)
where:
Base-Base interactions energy: -631.158
where: short stacking energy: -261.320
Base-Backbone interact. energy: -0.821
local terms energy: -254.027854
where:
bonds (distance) C4'-P energy: -42.465
bonds (distance) P-C4' energy: -45.758
flat angles C4'-P-C4' energy: -49.254
flat angles P-C4'-P energy: -38.688
tors. eta vs tors. theta energy: -77.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -888.586707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.586707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.586707 (E_RNA)
where:
Base-Base interactions energy: -634.039
where: short stacking energy: -264.022
Base-Backbone interact. energy: 0.131
local terms energy: -254.678721
where:
bonds (distance) C4'-P energy: -43.444
bonds (distance) P-C4' energy: -46.711
flat angles C4'-P-C4' energy: -51.058
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -82.640
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: 267
Temperature: 1.050000
Total energy: -773.674378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.674378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.674378 (E_RNA)
where:
Base-Base interactions energy: -534.410
where: short stacking energy: -236.884
Base-Backbone interact. energy: -0.433
local terms energy: -238.831984
where:
bonds (distance) C4'-P energy: -46.484
bonds (distance) P-C4' energy: -43.291
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -67.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -722.466023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.466023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.466023 (E_RNA)
where:
Base-Base interactions energy: -502.183
where: short stacking energy: -197.690
Base-Backbone interact. energy: 3.045
local terms energy: -223.327800
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -40.953
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -60.380
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: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -648.848733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.848733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.848733 (E_RNA)
where:
Base-Base interactions energy: -460.598
where: short stacking energy: -186.707
Base-Backbone interact. energy: -0.123
local terms energy: -188.128250
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -36.826
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -46.038
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: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -575.301379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.301379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.301379 (E_RNA)
where:
Base-Base interactions energy: -371.360
where: short stacking energy: -163.421
Base-Backbone interact. energy: 0.452
local terms energy: -204.393345
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -46.548
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -31.574
tors. eta vs tors. theta energy: -41.184
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: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -444.605919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.605919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.605919 (E_RNA)
where:
Base-Base interactions energy: -264.919
where: short stacking energy: -138.928
Base-Backbone interact. energy: -1.039
local terms energy: -178.648146
where:
bonds (distance) C4'-P energy: -32.880
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -49.315
flat angles P-C4'-P energy: -16.216
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -214.630201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.630201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.630201 (E_RNA)
where:
Base-Base interactions energy: -82.619
where: short stacking energy: -47.989
Base-Backbone interact. energy: 0.848
local terms energy: -132.859431
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -45.115
flat angles C4'-P-C4' energy: -34.743
flat angles P-C4'-P energy: -24.875
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: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -214.013297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.013297 (E_RNA)
where:
Base-Base interactions energy: -75.888
where: short stacking energy: -60.719
Base-Backbone interact. energy: 1.445
local terms energy: -139.569719
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -38.366
flat angles P-C4'-P energy: -26.902
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: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -910.334830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.334830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.334830 (E_RNA)
where:
Base-Base interactions energy: -643.321
where: short stacking energy: -266.522
Base-Backbone interact. energy: -0.047
local terms energy: -266.966588
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -46.867
flat angles C4'-P-C4' energy: -52.153
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: -80.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -899.872541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.872541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.872541 (E_RNA)
where:
Base-Base interactions energy: -627.395
where: short stacking energy: -258.741
Base-Backbone interact. energy: -1.439
local terms energy: -271.039139
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -48.001
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -81.442
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: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -880.389902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.389902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.389902 (E_RNA)
where:
Base-Base interactions energy: -611.749
where: short stacking energy: -265.344
Base-Backbone interact. energy: 0.255
local terms energy: -268.895323
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -44.934
flat angles C4'-P-C4' energy: -56.248
flat angles P-C4'-P energy: -40.731
tors. eta vs tors. theta energy: -84.843
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: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -761.697774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.697774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.697774 (E_RNA)
where:
Base-Base interactions energy: -525.854
where: short stacking energy: -240.683
Base-Backbone interact. energy: -0.074
local terms energy: -235.770343
where:
bonds (distance) C4'-P energy: -48.465
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -50.725
flat angles P-C4'-P energy: -33.937
tors. eta vs tors. theta energy: -67.393
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: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -741.809964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.809964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.809964 (E_RNA)
where:
Base-Base interactions energy: -507.347
where: short stacking energy: -211.521
Base-Backbone interact. energy: -2.007
local terms energy: -232.456001
where:
bonds (distance) C4'-P energy: -42.915
bonds (distance) P-C4' energy: -44.946
flat angles C4'-P-C4' energy: -45.073
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -68.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -633.077566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.077566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.077566 (E_RNA)
where:
Base-Base interactions energy: -421.446
where: short stacking energy: -183.054
Base-Backbone interact. energy: -0.305
local terms energy: -211.326880
where:
bonds (distance) C4'-P energy: -40.987
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -41.434
flat angles P-C4'-P energy: -34.434
tors. eta vs tors. theta energy: -52.484
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: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -583.394306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.394306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.394306 (E_RNA)
where:
Base-Base interactions energy: -394.209
where: short stacking energy: -183.205
Base-Backbone interact. energy: -3.827
local terms energy: -185.358703
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -33.630
flat angles C4'-P-C4' energy: -41.760
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -54.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -427.571492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.571492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.571492 (E_RNA)
where:
Base-Base interactions energy: -267.759
where: short stacking energy: -136.214
Base-Backbone interact. energy: -1.024
local terms energy: -158.788408
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -50.228
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -20.060
tors. eta vs tors. theta energy: -22.186
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: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -263.214241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.214241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.214241 (E_RNA)
where:
Base-Base interactions energy: -131.524
where: short stacking energy: -76.862
Base-Backbone interact. energy: 0.117
local terms energy: -131.806914
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -40.061
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -14.218
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -198.716420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.716420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.716420 (E_RNA)
where:
Base-Base interactions energy: -52.288
where: short stacking energy: -50.120
Base-Backbone interact. energy: -0.511
local terms energy: -145.918049
where:
bonds (distance) C4'-P energy: -42.473
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -33.437
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -917.604176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.604176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.604176 (E_RNA)
where:
Base-Base interactions energy: -650.988
where: short stacking energy: -280.467
Base-Backbone interact. energy: -0.066
local terms energy: -266.550812
where:
bonds (distance) C4'-P energy: -38.915
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -54.209
flat angles P-C4'-P energy: -36.901
tors. eta vs tors. theta energy: -84.968
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: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -898.089848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.089848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.089848 (E_RNA)
where:
Base-Base interactions energy: -636.490
where: short stacking energy: -266.199
Base-Backbone interact. energy: -0.028
local terms energy: -261.571842
where:
bonds (distance) C4'-P energy: -46.169
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -56.277
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -80.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -895.117693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.117693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.117693 (E_RNA)
where:
Base-Base interactions energy: -626.809
where: short stacking energy: -266.320
Base-Backbone interact. energy: -1.302
local terms energy: -267.006401
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -39.403
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -40.993
tors. eta vs tors. theta energy: -84.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -771.993007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.993007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.993007 (E_RNA)
where:
Base-Base interactions energy: -535.854
where: short stacking energy: -225.414
Base-Backbone interact. energy: -0.702
local terms energy: -235.437342
where:
bonds (distance) C4'-P energy: -42.812
bonds (distance) P-C4' energy: -40.846
flat angles C4'-P-C4' energy: -49.482
flat angles P-C4'-P energy: -33.984
tors. eta vs tors. theta energy: -68.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -723.063548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.063548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.063548 (E_RNA)
where:
Base-Base interactions energy: -496.596
where: short stacking energy: -201.612
Base-Backbone interact. energy: -2.108
local terms energy: -224.358787
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -43.994
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -30.095
tors. eta vs tors. theta energy: -64.914
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: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -638.865802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.865802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.865802 (E_RNA)
where:
Base-Base interactions energy: -431.058
where: short stacking energy: -177.393
Base-Backbone interact. energy: -0.714
local terms energy: -207.093697
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -39.909
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -45.305
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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -576.033216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.033216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.033216 (E_RNA)
where:
Base-Base interactions energy: -371.742
where: short stacking energy: -170.069
Base-Backbone interact. energy: 0.359
local terms energy: -204.650398
where:
bonds (distance) C4'-P energy: -46.015
bonds (distance) P-C4' energy: -33.335
flat angles C4'-P-C4' energy: -43.768
flat angles P-C4'-P energy: -29.740
tors. eta vs tors. theta energy: -51.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -447.201094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.201094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.201094 (E_RNA)
where:
Base-Base interactions energy: -261.372
where: short stacking energy: -131.013
Base-Backbone interact. energy: -1.445
local terms energy: -184.383766
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -42.474
flat angles C4'-P-C4' energy: -47.862
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -29.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -218.883083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.883083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.883083 (E_RNA)
where:
Base-Base interactions energy: -99.815
where: short stacking energy: -58.177
Base-Backbone interact. energy: 0.466
local terms energy: -119.534930
where:
bonds (distance) C4'-P energy: -38.800
bonds (distance) P-C4' energy: -32.033
flat angles C4'-P-C4' energy: -31.922
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: 6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -199.818989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.818989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.818989 (E_RNA)
where:
Base-Base interactions energy: -72.718
where: short stacking energy: -57.503
Base-Backbone interact. energy: -0.177
local terms energy: -126.923701
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -40.910
flat angles C4'-P-C4' energy: -41.706
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: 15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -921.781263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.781263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.781263 (E_RNA)
where:
Base-Base interactions energy: -653.121
where: short stacking energy: -275.594
Base-Backbone interact. energy: 0.161
local terms energy: -268.821403
where:
bonds (distance) C4'-P energy: -43.385
bonds (distance) P-C4' energy: -47.721
flat angles C4'-P-C4' energy: -53.780
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -86.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -895.951626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.951626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.951626 (E_RNA)
where:
Base-Base interactions energy: -624.777
where: short stacking energy: -270.380
Base-Backbone interact. energy: -0.005
local terms energy: -271.169436
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -43.596
flat angles C4'-P-C4' energy: -57.004
flat angles P-C4'-P energy: -39.718
tors. eta vs tors. theta energy: -83.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -892.910652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.910652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.910652 (E_RNA)
where:
Base-Base interactions energy: -632.558
where: short stacking energy: -268.145
Base-Backbone interact. energy: -0.569
local terms energy: -259.784574
where:
bonds (distance) C4'-P energy: -44.295
bonds (distance) P-C4' energy: -43.601
flat angles C4'-P-C4' energy: -54.868
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -85.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -764.337139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.337139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.337139 (E_RNA)
where:
Base-Base interactions energy: -532.299
where: short stacking energy: -228.322
Base-Backbone interact. energy: -1.127
local terms energy: -230.911252
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -44.778
flat angles C4'-P-C4' energy: -47.900
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: -64.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -726.158125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.158125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.158125 (E_RNA)
where:
Base-Base interactions energy: -500.648
where: short stacking energy: -202.266
Base-Backbone interact. energy: -0.865
local terms energy: -224.645452
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -31.847
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -36.112
tors. eta vs tors. theta energy: -62.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -630.587117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.587117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.587117 (E_RNA)
where:
Base-Base interactions energy: -421.657
where: short stacking energy: -199.361
Base-Backbone interact. energy: -0.467
local terms energy: -208.463288
where:
bonds (distance) C4'-P energy: -41.627
bonds (distance) P-C4' energy: -40.935
flat angles C4'-P-C4' energy: -43.148
flat angles P-C4'-P energy: -29.120
tors. eta vs tors. theta energy: -53.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -579.390122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.390122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.390122 (E_RNA)
where:
Base-Base interactions energy: -380.265
where: short stacking energy: -186.711
Base-Backbone interact. energy: -0.846
local terms energy: -198.279439
where:
bonds (distance) C4'-P energy: -39.838
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -49.001
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: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -513.537306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.537306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.537306 (E_RNA)
where:
Base-Base interactions energy: -335.903
where: short stacking energy: -147.758
Base-Backbone interact. energy: -0.530
local terms energy: -177.104471
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -42.680
flat angles P-C4'-P energy: -30.629
tors. eta vs tors. theta energy: -39.216
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: 270
Temperature: 1.300000
Total energy: -216.896528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.896528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.896528 (E_RNA)
where:
Base-Base interactions energy: -89.929
where: short stacking energy: -77.490
Base-Backbone interact. energy: -0.921
local terms energy: -126.046849
where:
bonds (distance) C4'-P energy: -38.617
bonds (distance) P-C4' energy: -41.259
flat angles C4'-P-C4' energy: -34.304
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: 6.023
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: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -196.286361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.286361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.286361 (E_RNA)
where:
Base-Base interactions energy: -80.260
where: short stacking energy: -65.683
Base-Backbone interact. energy: -1.069
local terms energy: -114.957620
where:
bonds (distance) C4'-P energy: -26.611
bonds (distance) P-C4' energy: -31.980
flat angles C4'-P-C4' energy: -39.256
flat angles P-C4'-P energy: -13.913
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: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -921.927749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.927749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.927749 (E_RNA)
where:
Base-Base interactions energy: -661.571
where: short stacking energy: -280.209
Base-Backbone interact. energy: 0.218
local terms energy: -260.574656
where:
bonds (distance) C4'-P energy: -46.094
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -49.661
flat angles P-C4'-P energy: -46.182
tors. eta vs tors. theta energy: -85.339
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: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -888.293366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.293366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.293366 (E_RNA)
where:
Base-Base interactions energy: -631.565
where: short stacking energy: -270.468
Base-Backbone interact. energy: -0.136
local terms energy: -256.592612
where:
bonds (distance) C4'-P energy: -37.263
bonds (distance) P-C4' energy: -46.356
flat angles C4'-P-C4' energy: -49.777
flat angles P-C4'-P energy: -39.256
tors. eta vs tors. theta energy: -83.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -877.494758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.494758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.494758 (E_RNA)
where:
Base-Base interactions energy: -628.820
where: short stacking energy: -263.938
Base-Backbone interact. energy: -0.031
local terms energy: -248.643959
where:
bonds (distance) C4'-P energy: -33.984
bonds (distance) P-C4' energy: -38.897
flat angles C4'-P-C4' energy: -52.678
flat angles P-C4'-P energy: -43.133
tors. eta vs tors. theta energy: -79.951
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: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -768.825399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.825399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.825399 (E_RNA)
where:
Base-Base interactions energy: -536.737
where: short stacking energy: -232.968
Base-Backbone interact. energy: -0.038
local terms energy: -232.050858
where:
bonds (distance) C4'-P energy: -46.065
bonds (distance) P-C4' energy: -34.576
flat angles C4'-P-C4' energy: -50.564
flat angles P-C4'-P energy: -33.121
tors. eta vs tors. theta energy: -67.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -688.546498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.546498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.546498 (E_RNA)
where:
Base-Base interactions energy: -476.292
where: short stacking energy: -218.011
Base-Backbone interact. energy: -1.423
local terms energy: -210.831648
where:
bonds (distance) C4'-P energy: -36.894
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -46.453
flat angles P-C4'-P energy: -33.562
tors. eta vs tors. theta energy: -59.333
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: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -695.537759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.537759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.537759 (E_RNA)
where:
Base-Base interactions energy: -464.591
where: short stacking energy: -205.358
Base-Backbone interact. energy: -0.270
local terms energy: -230.676868
where:
bonds (distance) C4'-P energy: -39.373
bonds (distance) P-C4' energy: -43.668
flat angles C4'-P-C4' energy: -53.073
flat angles P-C4'-P energy: -35.637
tors. eta vs tors. theta energy: -58.925
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: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -584.941847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.941847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.941847 (E_RNA)
where:
Base-Base interactions energy: -395.075
where: short stacking energy: -186.799
Base-Backbone interact. energy: -0.236
local terms energy: -189.631237
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -40.137
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -43.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -503.111882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.111882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.111882 (E_RNA)
where:
Base-Base interactions energy: -334.520
where: short stacking energy: -147.552
Base-Backbone interact. energy: 1.986
local terms energy: -170.577551
where:
bonds (distance) C4'-P energy: -37.618
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -14.724
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: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -229.452796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.452796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.452796 (E_RNA)
where:
Base-Base interactions energy: -84.465
where: short stacking energy: -75.591
Base-Backbone interact. energy: -1.440
local terms energy: -143.548469
where:
bonds (distance) C4'-P energy: -40.783
bonds (distance) P-C4' energy: -43.738
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -28.946
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -204.362416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.362416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.362416 (E_RNA)
where:
Base-Base interactions energy: -74.797
where: short stacking energy: -55.703
Base-Backbone interact. energy: 1.239
local terms energy: -130.804237
where:
bonds (distance) C4'-P energy: -42.038
bonds (distance) P-C4' energy: -44.591
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -912.589388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.589388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.589388 (E_RNA)
where:
Base-Base interactions energy: -642.891
where: short stacking energy: -277.802
Base-Backbone interact. energy: -0.360
local terms energy: -269.337832
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -43.320
tors. eta vs tors. theta energy: -86.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -889.220301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.220301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.220301 (E_RNA)
where:
Base-Base interactions energy: -628.563
where: short stacking energy: -285.346
Base-Backbone interact. energy: -0.172
local terms energy: -260.485110
where:
bonds (distance) C4'-P energy: -44.597
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -53.545
flat angles P-C4'-P energy: -41.167
tors. eta vs tors. theta energy: -83.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -882.721175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.721175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.721175 (E_RNA)
where:
Base-Base interactions energy: -639.181
where: short stacking energy: -276.255
Base-Backbone interact. energy: 0.327
local terms energy: -243.867434
where:
bonds (distance) C4'-P energy: -35.847
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -34.294
tors. eta vs tors. theta energy: -82.200
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: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -760.039141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.039141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.039141 (E_RNA)
where:
Base-Base interactions energy: -517.606
where: short stacking energy: -212.709
Base-Backbone interact. energy: -0.435
local terms energy: -241.998035
where:
bonds (distance) C4'-P energy: -44.660
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -65.226
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -704.428393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.428393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.428393 (E_RNA)
where:
Base-Base interactions energy: -491.974
where: short stacking energy: -208.399
Base-Backbone interact. energy: -1.021
local terms energy: -211.432835
where:
bonds (distance) C4'-P energy: -43.428
bonds (distance) P-C4' energy: -41.143
flat angles C4'-P-C4' energy: -42.144
flat angles P-C4'-P energy: -32.558
tors. eta vs tors. theta energy: -52.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -650.929354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.929354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.929354 (E_RNA)
where:
Base-Base interactions energy: -435.595
where: short stacking energy: -192.196
Base-Backbone interact. energy: 0.362
local terms energy: -215.696053
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -52.609
flat angles C4'-P-C4' energy: -45.478
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -51.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -646.670799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.670799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.670799 (E_RNA)
where:
Base-Base interactions energy: -438.926
where: short stacking energy: -190.652
Base-Backbone interact. energy: -0.007
local terms energy: -207.737950
where:
bonds (distance) C4'-P energy: -34.957
bonds (distance) P-C4' energy: -42.145
flat angles C4'-P-C4' energy: -47.866
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -54.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -480.509299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.509299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.509299 (E_RNA)
where:
Base-Base interactions energy: -302.639
where: short stacking energy: -133.514
Base-Backbone interact. energy: -1.897
local terms energy: -175.973080
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -39.857
flat angles C4'-P-C4' energy: -41.376
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -37.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -225.357721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.357721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.357721 (E_RNA)
where:
Base-Base interactions energy: -91.627
where: short stacking energy: -56.614
Base-Backbone interact. energy: 0.061
local terms energy: -133.791969
where:
bonds (distance) C4'-P energy: -42.817
bonds (distance) P-C4' energy: -36.953
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: 5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -203.261677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.261677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.261677 (E_RNA)
where:
Base-Base interactions energy: -68.982
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.812
local terms energy: -133.467590
where:
bonds (distance) C4'-P energy: -43.318
bonds (distance) P-C4' energy: -41.497
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: 1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -906.694442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.694442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.694442 (E_RNA)
where:
Base-Base interactions energy: -635.428
where: short stacking energy: -266.543
Base-Backbone interact. energy: 1.780
local terms energy: -273.045587
where:
bonds (distance) C4'-P energy: -41.955
bonds (distance) P-C4' energy: -47.561
flat angles C4'-P-C4' energy: -60.429
flat angles P-C4'-P energy: -39.811
tors. eta vs tors. theta energy: -83.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -890.678201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.678201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.678201 (E_RNA)
where:
Base-Base interactions energy: -629.873
where: short stacking energy: -273.485
Base-Backbone interact. energy: 0.289
local terms energy: -261.094702
where:
bonds (distance) C4'-P energy: -42.658
bonds (distance) P-C4' energy: -47.494
flat angles C4'-P-C4' energy: -54.298
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -84.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -877.854307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.854307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.854307 (E_RNA)
where:
Base-Base interactions energy: -613.150
where: short stacking energy: -258.978
Base-Backbone interact. energy: -0.427
local terms energy: -264.277281
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -48.878
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -83.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -759.923738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.923738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.923738 (E_RNA)
where:
Base-Base interactions energy: -514.838
where: short stacking energy: -224.632
Base-Backbone interact. energy: -0.458
local terms energy: -244.627957
where:
bonds (distance) C4'-P energy: -42.971
bonds (distance) P-C4' energy: -42.237
flat angles C4'-P-C4' energy: -54.797
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -69.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -717.054663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.054663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.054663 (E_RNA)
where:
Base-Base interactions energy: -498.955
where: short stacking energy: -214.996
Base-Backbone interact. energy: 1.466
local terms energy: -219.564846
where:
bonds (distance) C4'-P energy: -31.947
bonds (distance) P-C4' energy: -44.715
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: -59.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -656.794373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.794373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.794373 (E_RNA)
where:
Base-Base interactions energy: -436.114
where: short stacking energy: -203.571
Base-Backbone interact. energy: -0.874
local terms energy: -219.806067
where:
bonds (distance) C4'-P energy: -36.376
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -49.034
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: -59.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -650.837374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.837374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.837374 (E_RNA)
where:
Base-Base interactions energy: -432.694
where: short stacking energy: -194.849
Base-Backbone interact. energy: -0.517
local terms energy: -217.626112
where:
bonds (distance) C4'-P energy: -47.139
bonds (distance) P-C4' energy: -45.883
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -54.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -411.171453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.171453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.171453 (E_RNA)
where:
Base-Base interactions energy: -257.734
where: short stacking energy: -117.198
Base-Backbone interact. energy: -1.868
local terms energy: -151.569976
where:
bonds (distance) C4'-P energy: -37.665
bonds (distance) P-C4' energy: -42.909
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -238.682411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.682411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.682411 (E_RNA)
where:
Base-Base interactions energy: -107.386
where: short stacking energy: -101.228
Base-Backbone interact. energy: 1.779
local terms energy: -133.074889
where:
bonds (distance) C4'-P energy: -31.150
bonds (distance) P-C4' energy: -40.309
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -234.161157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.161157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.161157 (E_RNA)
where:
Base-Base interactions energy: -107.484
where: short stacking energy: -68.875
Base-Backbone interact. energy: 1.042
local terms energy: -127.718408
where:
bonds (distance) C4'-P energy: -35.010
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: 7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -913.276757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.276757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.276757 (E_RNA)
where:
Base-Base interactions energy: -651.572
where: short stacking energy: -270.341
Base-Backbone interact. energy: -0.103
local terms energy: -261.601874
where:
bonds (distance) C4'-P energy: -43.423
bonds (distance) P-C4' energy: -50.557
flat angles C4'-P-C4' energy: -51.286
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: -83.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -890.966016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.966016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.966016 (E_RNA)
where:
Base-Base interactions energy: -616.061
where: short stacking energy: -266.756
Base-Backbone interact. energy: -0.578
local terms energy: -274.327086
where:
bonds (distance) C4'-P energy: -47.784
bonds (distance) P-C4' energy: -48.071
flat angles C4'-P-C4' energy: -52.966
flat angles P-C4'-P energy: -40.689
tors. eta vs tors. theta energy: -84.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -882.853381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.853381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.853381 (E_RNA)
where:
Base-Base interactions energy: -631.211
where: short stacking energy: -274.052
Base-Backbone interact. energy: -0.019
local terms energy: -251.623230
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -41.846
flat angles C4'-P-C4' energy: -51.183
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -82.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -765.708038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.708038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.708038 (E_RNA)
where:
Base-Base interactions energy: -552.726
where: short stacking energy: -225.532
Base-Backbone interact. energy: 0.199
local terms energy: -213.180541
where:
bonds (distance) C4'-P energy: -28.847
bonds (distance) P-C4' energy: -40.253
flat angles C4'-P-C4' energy: -50.696
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -65.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -736.621250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.621250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.621250 (E_RNA)
where:
Base-Base interactions energy: -514.099
where: short stacking energy: -213.016
Base-Backbone interact. energy: -1.423
local terms energy: -221.098568
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -41.489
flat angles C4'-P-C4' energy: -47.883
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -63.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -639.940990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.940990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.940990 (E_RNA)
where:
Base-Base interactions energy: -420.698
where: short stacking energy: -195.607
Base-Backbone interact. energy: -1.075
local terms energy: -218.168279
where:
bonds (distance) C4'-P energy: -41.173
bonds (distance) P-C4' energy: -38.944
flat angles C4'-P-C4' energy: -46.961
flat angles P-C4'-P energy: -31.928
tors. eta vs tors. theta energy: -59.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -639.695595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.695595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.695595 (E_RNA)
where:
Base-Base interactions energy: -433.500
where: short stacking energy: -202.339
Base-Backbone interact. energy: -1.115
local terms energy: -205.081289
where:
bonds (distance) C4'-P energy: -41.906
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -36.252
flat angles P-C4'-P energy: -28.359
tors. eta vs tors. theta energy: -61.743
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: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -452.645403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.645403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.645403 (E_RNA)
where:
Base-Base interactions energy: -287.164
where: short stacking energy: -142.682
Base-Backbone interact. energy: -1.292
local terms energy: -164.189623
where:
bonds (distance) C4'-P energy: -31.832
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -38.578
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -30.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -209.573860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.573860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.573860 (E_RNA)
where:
Base-Base interactions energy: -81.661
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.174
local terms energy: -127.738350
where:
bonds (distance) C4'-P energy: -43.592
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -40.495
flat angles P-C4'-P energy: -23.718
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: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -199.385661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.385661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.385661 (E_RNA)
where:
Base-Base interactions energy: -71.944
where: short stacking energy: -63.351
Base-Backbone interact. energy: -0.658
local terms energy: -126.784177
where:
bonds (distance) C4'-P energy: -40.296
bonds (distance) P-C4' energy: -42.697
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: 4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -900.898679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.898679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.898679 (E_RNA)
where:
Base-Base interactions energy: -643.073
where: short stacking energy: -271.359
Base-Backbone interact. energy: -0.089
local terms energy: -257.736350
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -39.356
flat angles C4'-P-C4' energy: -55.007
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: -82.473
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: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -905.172140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.172140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.172140 (E_RNA)
where:
Base-Base interactions energy: -657.953
where: short stacking energy: -263.232
Base-Backbone interact. energy: 1.068
local terms energy: -248.287138
where:
bonds (distance) C4'-P energy: -47.875
bonds (distance) P-C4' energy: -45.480
flat angles C4'-P-C4' energy: -41.275
flat angles P-C4'-P energy: -35.515
tors. eta vs tors. theta energy: -78.142
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: 275
Temperature: 1.000000
Total energy: -879.170817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.170817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.170817 (E_RNA)
where:
Base-Base interactions energy: -622.386
where: short stacking energy: -269.987
Base-Backbone interact. energy: -0.088
local terms energy: -256.697419
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -42.288
flat angles C4'-P-C4' energy: -53.344
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -79.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -763.569701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.569701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.569701 (E_RNA)
where:
Base-Base interactions energy: -533.776
where: short stacking energy: -227.139
Base-Backbone interact. energy: 0.884
local terms energy: -230.677503
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -51.575
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: -65.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -738.206590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.206590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.206590 (E_RNA)
where:
Base-Base interactions energy: -506.982
where: short stacking energy: -217.173
Base-Backbone interact. energy: -0.945
local terms energy: -230.279000
where:
bonds (distance) C4'-P energy: -45.607
bonds (distance) P-C4' energy: -45.499
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: -66.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -673.149231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.149231 (E_RNA)
where:
Base-Base interactions energy: -462.180
where: short stacking energy: -198.479
Base-Backbone interact. energy: -0.056
local terms energy: -210.913924
where:
bonds (distance) C4'-P energy: -46.626
bonds (distance) P-C4' energy: -45.313
flat angles C4'-P-C4' energy: -45.210
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -53.146
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: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -582.641129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.641129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.641129 (E_RNA)
where:
Base-Base interactions energy: -386.555
where: short stacking energy: -171.341
Base-Backbone interact. energy: -2.054
local terms energy: -194.032379
where:
bonds (distance) C4'-P energy: -32.454
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -46.380
flat angles P-C4'-P energy: -26.427
tors. eta vs tors. theta energy: -54.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -435.036669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.036669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.036669 (E_RNA)
where:
Base-Base interactions energy: -254.272
where: short stacking energy: -126.720
Base-Backbone interact. energy: 1.349
local terms energy: -182.114366
where:
bonds (distance) C4'-P energy: -36.545
bonds (distance) P-C4' energy: -42.947
flat angles C4'-P-C4' energy: -38.748
flat angles P-C4'-P energy: -31.114
tors. eta vs tors. theta energy: -32.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -219.059757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.059757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.059757 (E_RNA)
where:
Base-Base interactions energy: -72.290
where: short stacking energy: -64.263
Base-Backbone interact. energy: -1.930
local terms energy: -144.839285
where:
bonds (distance) C4'-P energy: -36.227
bonds (distance) P-C4' energy: -38.152
flat angles C4'-P-C4' energy: -50.960
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: 3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -200.773052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.773052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.773052 (E_RNA)
where:
Base-Base interactions energy: -78.440
where: short stacking energy: -69.209
Base-Backbone interact. energy: -1.422
local terms energy: -120.911042
where:
bonds (distance) C4'-P energy: -39.161
bonds (distance) P-C4' energy: -36.471
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: 9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -907.939167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.939167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.939167 (E_RNA)
where:
Base-Base interactions energy: -648.051
where: short stacking energy: -269.656
Base-Backbone interact. energy: -0.230
local terms energy: -259.658079
where:
bonds (distance) C4'-P energy: -44.944
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -45.937
flat angles P-C4'-P energy: -38.943
tors. eta vs tors. theta energy: -81.556
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -904.693480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.693480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.693480 (E_RNA)
where:
Base-Base interactions energy: -630.838
where: short stacking energy: -264.974
Base-Backbone interact. energy: -1.120
local terms energy: -272.736086
where:
bonds (distance) C4'-P energy: -46.434
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -55.713
flat angles P-C4'-P energy: -41.700
tors. eta vs tors. theta energy: -78.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -881.714380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.714380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.714380 (E_RNA)
where:
Base-Base interactions energy: -620.522
where: short stacking energy: -264.044
Base-Backbone interact. energy: -0.340
local terms energy: -260.852495
where:
bonds (distance) C4'-P energy: -35.465
bonds (distance) P-C4' energy: -51.251
flat angles C4'-P-C4' energy: -51.181
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -86.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -791.319059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.319059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.319059 (E_RNA)
where:
Base-Base interactions energy: -549.270
where: short stacking energy: -226.142
Base-Backbone interact. energy: -0.594
local terms energy: -241.454837
where:
bonds (distance) C4'-P energy: -48.349
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -36.165
tors. eta vs tors. theta energy: -62.904
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -749.815540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.815540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.815540 (E_RNA)
where:
Base-Base interactions energy: -523.001
where: short stacking energy: -217.367
Base-Backbone interact. energy: 1.782
local terms energy: -228.597384
where:
bonds (distance) C4'-P energy: -44.019
bonds (distance) P-C4' energy: -44.184
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -74.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -701.351052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.351052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.351052 (E_RNA)
where:
Base-Base interactions energy: -497.334
where: short stacking energy: -212.326
Base-Backbone interact. energy: -0.590
local terms energy: -203.427243
where:
bonds (distance) C4'-P energy: -37.429
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -66.490
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: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -601.026597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.026597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.026597 (E_RNA)
where:
Base-Base interactions energy: -389.074
where: short stacking energy: -184.403
Base-Backbone interact. energy: -2.776
local terms energy: -209.176144
where:
bonds (distance) C4'-P energy: -41.682
bonds (distance) P-C4' energy: -37.768
flat angles C4'-P-C4' energy: -47.356
flat angles P-C4'-P energy: -30.784
tors. eta vs tors. theta energy: -51.586
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: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -412.336186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.336186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.336186 (E_RNA)
where:
Base-Base interactions energy: -250.129
where: short stacking energy: -129.313
Base-Backbone interact. energy: -0.282
local terms energy: -161.925525
where:
bonds (distance) C4'-P energy: -32.325
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: -31.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -271.878851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.878851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.878851 (E_RNA)
where:
Base-Base interactions energy: -107.580
where: short stacking energy: -71.104
Base-Backbone interact. energy: -0.967
local terms energy: -163.331613
where:
bonds (distance) C4'-P energy: -44.943
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -37.378
flat angles P-C4'-P energy: -28.864
tors. eta vs tors. theta energy: -5.319
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: 276
Temperature: 1.350000
Total energy: -231.446875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.446875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.446875 (E_RNA)
where:
Base-Base interactions energy: -100.198
where: short stacking energy: -81.770
Base-Backbone interact. energy: -0.037
local terms energy: -131.212254
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -44.397
flat angles C4'-P-C4' energy: -28.063
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -907.682057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.682057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.682057 (E_RNA)
where:
Base-Base interactions energy: -639.526
where: short stacking energy: -282.846
Base-Backbone interact. energy: -0.002
local terms energy: -268.154316
where:
bonds (distance) C4'-P energy: -42.185
bonds (distance) P-C4' energy: -50.298
flat angles C4'-P-C4' energy: -51.090
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: -85.022
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -887.687068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.687068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.687068 (E_RNA)
where:
Base-Base interactions energy: -624.832
where: short stacking energy: -270.771
Base-Backbone interact. energy: -0.669
local terms energy: -262.186881
where:
bonds (distance) C4'-P energy: -38.888
bonds (distance) P-C4' energy: -50.515
flat angles C4'-P-C4' energy: -57.864
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -80.815
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: 7
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -891.562144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.562144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.562144 (E_RNA)
where:
Base-Base interactions energy: -631.618
where: short stacking energy: -265.921
Base-Backbone interact. energy: -0.938
local terms energy: -259.006100
where:
bonds (distance) C4'-P energy: -46.797
bonds (distance) P-C4' energy: -38.976
flat angles C4'-P-C4' energy: -56.197
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -80.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -770.585737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.585737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.585737 (E_RNA)
where:
Base-Base interactions energy: -540.642
where: short stacking energy: -215.404
Base-Backbone interact. energy: -0.371
local terms energy: -229.573617
where:
bonds (distance) C4'-P energy: -45.156
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -47.945
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -66.242
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: 277
Temperature: 1.100000
Total energy: -731.533422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.533422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.533422 (E_RNA)
where:
Base-Base interactions energy: -500.278
where: short stacking energy: -213.033
Base-Backbone interact. energy: -1.495
local terms energy: -229.760254
where:
bonds (distance) C4'-P energy: -46.976
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -46.284
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -72.077
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: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -680.027190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.027190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.027190 (E_RNA)
where:
Base-Base interactions energy: -470.262
where: short stacking energy: -196.310
Base-Backbone interact. energy: -0.555
local terms energy: -209.209350
where:
bonds (distance) C4'-P energy: -39.193
bonds (distance) P-C4' energy: -47.256
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -54.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -657.435341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.435341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.435341 (E_RNA)
where:
Base-Base interactions energy: -466.714
where: short stacking energy: -196.524
Base-Backbone interact. energy: -1.548
local terms energy: -189.173307
where:
bonds (distance) C4'-P energy: -26.651
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -49.982
flat angles P-C4'-P energy: -31.056
tors. eta vs tors. theta energy: -50.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -413.106949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.106949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.106949 (E_RNA)
where:
Base-Base interactions energy: -253.778
where: short stacking energy: -127.096
Base-Backbone interact. energy: 2.584
local terms energy: -161.913561
where:
bonds (distance) C4'-P energy: -30.848
bonds (distance) P-C4' energy: -37.443
flat angles C4'-P-C4' energy: -37.055
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -25.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -268.201877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.201877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.201877 (E_RNA)
where:
Base-Base interactions energy: -114.368
where: short stacking energy: -62.038
Base-Backbone interact. energy: -0.639
local terms energy: -153.195599
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -44.804
flat angles C4'-P-C4' energy: -31.853
flat angles P-C4'-P energy: -26.999
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -195.447667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.447667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.447667 (E_RNA)
where:
Base-Base interactions energy: -73.260
where: short stacking energy: -50.125
Base-Backbone interact. energy: -0.336
local terms energy: -121.851905
where:
bonds (distance) C4'-P energy: -40.649
bonds (distance) P-C4' energy: -36.413
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: 6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -916.089607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.089607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.089607 (E_RNA)
where:
Base-Base interactions energy: -643.188
where: short stacking energy: -276.553
Base-Backbone interact. energy: -0.129
local terms energy: -272.772515
where:
bonds (distance) C4'-P energy: -45.430
bonds (distance) P-C4' energy: -51.138
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -34.498
tors. eta vs tors. theta energy: -86.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -884.790601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.790601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.790601 (E_RNA)
where:
Base-Base interactions energy: -622.464
where: short stacking energy: -266.479
Base-Backbone interact. energy: -0.195
local terms energy: -262.132225
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -83.752
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: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -889.356199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.356199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.356199 (E_RNA)
where:
Base-Base interactions energy: -625.736
where: short stacking energy: -272.263
Base-Backbone interact. energy: -0.025
local terms energy: -263.594483
where:
bonds (distance) C4'-P energy: -39.590
bonds (distance) P-C4' energy: -45.853
flat angles C4'-P-C4' energy: -50.084
flat angles P-C4'-P energy: -41.881
tors. eta vs tors. theta energy: -86.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -765.684838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.684838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.684838 (E_RNA)
where:
Base-Base interactions energy: -541.528
where: short stacking energy: -230.467
Base-Backbone interact. energy: -0.193
local terms energy: -223.964126
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -34.890
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -66.854
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: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -734.748073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.748073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.748073 (E_RNA)
where:
Base-Base interactions energy: -494.133
where: short stacking energy: -209.740
Base-Backbone interact. energy: -0.184
local terms energy: -240.431793
where:
bonds (distance) C4'-P energy: -39.093
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -49.731
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -67.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -675.761591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.761591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.761591 (E_RNA)
where:
Base-Base interactions energy: -464.368
where: short stacking energy: -208.511
Base-Backbone interact. energy: -0.722
local terms energy: -210.671545
where:
bonds (distance) C4'-P energy: -27.143
bonds (distance) P-C4' energy: -40.832
flat angles C4'-P-C4' energy: -47.594
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -59.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -687.325581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.325581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.325581 (E_RNA)
where:
Base-Base interactions energy: -483.817
where: short stacking energy: -205.961
Base-Backbone interact. energy: -0.357
local terms energy: -203.151427
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -39.730
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -51.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -420.630462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.630462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.630462 (E_RNA)
where:
Base-Base interactions energy: -255.611
where: short stacking energy: -112.270
Base-Backbone interact. energy: -1.125
local terms energy: -163.894707
where:
bonds (distance) C4'-P energy: -42.894
bonds (distance) P-C4' energy: -46.933
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -24.180
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: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -242.139116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.139116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.139116 (E_RNA)
where:
Base-Base interactions energy: -99.441
where: short stacking energy: -99.491
Base-Backbone interact. energy: -0.448
local terms energy: -142.250611
where:
bonds (distance) C4'-P energy: -44.358
bonds (distance) P-C4' energy: -38.845
flat angles C4'-P-C4' energy: -40.426
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -10.910
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: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -212.654094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.654094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.654094 (E_RNA)
where:
Base-Base interactions energy: -85.616
where: short stacking energy: -77.695
Base-Backbone interact. energy: 1.842
local terms energy: -128.880317
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -29.600
flat angles C4'-P-C4' energy: -39.066
flat angles P-C4'-P energy: -22.384
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -914.570366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.570366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.570366 (E_RNA)
where:
Base-Base interactions energy: -649.533
where: short stacking energy: -280.023
Base-Backbone interact. energy: -0.655
local terms energy: -264.382549
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -43.744
flat angles C4'-P-C4' energy: -56.055
flat angles P-C4'-P energy: -34.687
tors. eta vs tors. theta energy: -82.609
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: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -888.351893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.351893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.351893 (E_RNA)
where:
Base-Base interactions energy: -633.276
where: short stacking energy: -274.705
Base-Backbone interact. energy: -0.010
local terms energy: -255.065411
where:
bonds (distance) C4'-P energy: -39.217
bonds (distance) P-C4' energy: -47.686
flat angles C4'-P-C4' energy: -51.225
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: -77.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -890.133486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.133486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.133486 (E_RNA)
where:
Base-Base interactions energy: -619.547
where: short stacking energy: -261.726
Base-Backbone interact. energy: -0.019
local terms energy: -270.568056
where:
bonds (distance) C4'-P energy: -45.446
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -53.808
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -82.250
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: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -767.857428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.857428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.857428 (E_RNA)
where:
Base-Base interactions energy: -552.655
where: short stacking energy: -244.494
Base-Backbone interact. energy: -0.645
local terms energy: -214.557382
where:
bonds (distance) C4'-P energy: -33.085
bonds (distance) P-C4' energy: -37.584
flat angles C4'-P-C4' energy: -44.140
flat angles P-C4'-P energy: -29.431
tors. eta vs tors. theta energy: -70.317
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: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -765.298368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.298368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.298368 (E_RNA)
where:
Base-Base interactions energy: -525.529
where: short stacking energy: -216.376
Base-Backbone interact. energy: -1.398
local terms energy: -238.371112
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -43.704
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -27.499
tors. eta vs tors. theta energy: -70.800
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: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -678.185155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.185155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.185155 (E_RNA)
where:
Base-Base interactions energy: -481.327
where: short stacking energy: -202.505
Base-Backbone interact. energy: 1.522
local terms energy: -198.380688
where:
bonds (distance) C4'-P energy: -37.682
bonds (distance) P-C4' energy: -39.056
flat angles C4'-P-C4' energy: -50.625
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -49.774
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: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -662.495254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.495254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.495254 (E_RNA)
where:
Base-Base interactions energy: -462.578
where: short stacking energy: -186.654
Base-Backbone interact. energy: 0.366
local terms energy: -200.283573
where:
bonds (distance) C4'-P energy: -39.559
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -45.086
flat angles P-C4'-P energy: -26.712
tors. eta vs tors. theta energy: -50.944
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: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -421.270527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.270527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.270527 (E_RNA)
where:
Base-Base interactions energy: -260.924
where: short stacking energy: -119.810
Base-Backbone interact. energy: -0.251
local terms energy: -160.094797
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -40.698
flat angles C4'-P-C4' energy: -31.567
flat angles P-C4'-P energy: -23.257
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -240.074195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.074195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.074195 (E_RNA)
where:
Base-Base interactions energy: -111.939
where: short stacking energy: -80.072
Base-Backbone interact. energy: -0.572
local terms energy: -127.562623
where:
bonds (distance) C4'-P energy: -37.015
bonds (distance) P-C4' energy: -36.329
flat angles C4'-P-C4' energy: -39.419
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: 5.923
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -203.823580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.823580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.823580 (E_RNA)
where:
Base-Base interactions energy: -88.591
where: short stacking energy: -77.799
Base-Backbone interact. energy: -0.334
local terms energy: -114.898798
where:
bonds (distance) C4'-P energy: -31.984
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -39.619
flat angles P-C4'-P energy: -13.843
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: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -908.794610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.794610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.794610 (E_RNA)
where:
Base-Base interactions energy: -642.543
where: short stacking energy: -268.369
Base-Backbone interact. energy: 0.151
local terms energy: -266.403430
where:
bonds (distance) C4'-P energy: -44.205
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -50.879
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -80.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -889.232485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.232485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.232485 (E_RNA)
where:
Base-Base interactions energy: -631.553
where: short stacking energy: -263.347
Base-Backbone interact. energy: -0.021
local terms energy: -257.659062
where:
bonds (distance) C4'-P energy: -42.991
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -31.828
tors. eta vs tors. theta energy: -80.479
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: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -895.267916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.267916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.267916 (E_RNA)
where:
Base-Base interactions energy: -624.321
where: short stacking energy: -262.240
Base-Backbone interact. energy: -0.240
local terms energy: -270.707227
where:
bonds (distance) C4'-P energy: -50.924
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -53.307
flat angles P-C4'-P energy: -40.014
tors. eta vs tors. theta energy: -85.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -786.660089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.660089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.660089 (E_RNA)
where:
Base-Base interactions energy: -548.065
where: short stacking energy: -233.076
Base-Backbone interact. energy: -1.588
local terms energy: -237.006688
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -51.299
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -68.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -756.432912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.432912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.432912 (E_RNA)
where:
Base-Base interactions energy: -518.089
where: short stacking energy: -214.437
Base-Backbone interact. energy: -2.347
local terms energy: -235.997206
where:
bonds (distance) C4'-P energy: -44.890
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -56.282
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -67.079
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: 6, replica: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -708.976421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.976421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.976421 (E_RNA)
where:
Base-Base interactions energy: -494.147
where: short stacking energy: -203.631
Base-Backbone interact. energy: -1.163
local terms energy: -213.666673
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -47.178
flat angles P-C4'-P energy: -29.032
tors. eta vs tors. theta energy: -62.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -672.290682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.290682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.290682 (E_RNA)
where:
Base-Base interactions energy: -477.233
where: short stacking energy: -200.820
Base-Backbone interact. energy: 5.858
local terms energy: -200.915685
where:
bonds (distance) C4'-P energy: -36.974
bonds (distance) P-C4' energy: -38.024
flat angles C4'-P-C4' energy: -44.211
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -51.444
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: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -445.413495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.413495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.413495 (E_RNA)
where:
Base-Base interactions energy: -267.104
where: short stacking energy: -130.057
Base-Backbone interact. energy: -0.276
local terms energy: -178.033585
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -41.417
flat angles C4'-P-C4' energy: -48.343
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -31.190
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: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -200.798489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.798489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.798489 (E_RNA)
where:
Base-Base interactions energy: -75.417
where: short stacking energy: -69.030
Base-Backbone interact. energy: -0.888
local terms energy: -124.493490
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -40.671
flat angles C4'-P-C4' energy: -32.199
flat angles P-C4'-P energy: -17.898
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: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -237.914272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.914272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.914272 (E_RNA)
where:
Base-Base interactions energy: -104.001
where: short stacking energy: -68.297
Base-Backbone interact. energy: -1.358
local terms energy: -132.555146
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -22.627
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)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -911.314537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.314537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.314537 (E_RNA)
where:
Base-Base interactions energy: -637.809
where: short stacking energy: -278.209
Base-Backbone interact. energy: 0.429
local terms energy: -273.935272
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -42.729
tors. eta vs tors. theta energy: -85.536
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: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -898.238316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.238316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.238316 (E_RNA)
where:
Base-Base interactions energy: -626.438
where: short stacking energy: -266.665
Base-Backbone interact. energy: 1.533
local terms energy: -273.333344
where:
bonds (distance) C4'-P energy: -47.907
bonds (distance) P-C4' energy: -48.297
flat angles C4'-P-C4' energy: -55.030
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -85.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -888.460888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.460888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.460888 (E_RNA)
where:
Base-Base interactions energy: -638.289
where: short stacking energy: -267.721
Base-Backbone interact. energy: -1.249
local terms energy: -248.923011
where:
bonds (distance) C4'-P energy: -39.001
bonds (distance) P-C4' energy: -46.664
flat angles C4'-P-C4' energy: -50.007
flat angles P-C4'-P energy: -34.680
tors. eta vs tors. theta energy: -78.571
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: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -770.731920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.731920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.731920 (E_RNA)
where:
Base-Base interactions energy: -524.131
where: short stacking energy: -225.004
Base-Backbone interact. energy: -0.450
local terms energy: -246.150092
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -43.879
flat angles C4'-P-C4' energy: -51.651
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -71.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -715.857604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.857604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.857604 (E_RNA)
where:
Base-Base interactions energy: -514.358
where: short stacking energy: -201.791
Base-Backbone interact. energy: -0.514
local terms energy: -200.984621
where:
bonds (distance) C4'-P energy: -26.184
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -45.143
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -63.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -700.923163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.923163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.923163 (E_RNA)
where:
Base-Base interactions energy: -489.960
where: short stacking energy: -213.919
Base-Backbone interact. energy: -0.959
local terms energy: -210.003789
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -37.254
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: -55.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -664.659279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.659279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.659279 (E_RNA)
where:
Base-Base interactions energy: -463.503
where: short stacking energy: -187.007
Base-Backbone interact. energy: -0.497
local terms energy: -200.658703
where:
bonds (distance) C4'-P energy: -38.988
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -32.368
tors. eta vs tors. theta energy: -47.354
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: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -449.070044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.070044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.070044 (E_RNA)
where:
Base-Base interactions energy: -284.573
where: short stacking energy: -140.404
Base-Backbone interact. energy: -1.254
local terms energy: -163.243933
where:
bonds (distance) C4'-P energy: -39.385
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -40.470
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -33.020
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: 281
Temperature: 1.300000
Total energy: -208.322122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.322122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.322122 (E_RNA)
where:
Base-Base interactions energy: -76.382
where: short stacking energy: -66.185
Base-Backbone interact. energy: -2.747
local terms energy: -129.192770
where:
bonds (distance) C4'-P energy: -34.006
bonds (distance) P-C4' energy: -44.525
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: 9.087
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: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -211.083197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.083197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.083197 (E_RNA)
where:
Base-Base interactions energy: -89.332
where: short stacking energy: -74.238
Base-Backbone interact. energy: 1.443
local terms energy: -123.194286
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -33.601
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: 5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -901.931078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.931078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.931078 (E_RNA)
where:
Base-Base interactions energy: -635.872
where: short stacking energy: -277.574
Base-Backbone interact. energy: -0.789
local terms energy: -265.270479
where:
bonds (distance) C4'-P energy: -49.497
bonds (distance) P-C4' energy: -42.949
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -35.065
tors. eta vs tors. theta energy: -83.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -891.195279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.195279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.195279 (E_RNA)
where:
Base-Base interactions energy: -627.251
where: short stacking energy: -258.261
Base-Backbone interact. energy: 0.759
local terms energy: -264.703419
where:
bonds (distance) C4'-P energy: -43.961
bonds (distance) P-C4' energy: -50.795
flat angles C4'-P-C4' energy: -54.371
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: -79.392
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: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -890.263608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.263608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.263608 (E_RNA)
where:
Base-Base interactions energy: -627.131
where: short stacking energy: -266.312
Base-Backbone interact. energy: -0.023
local terms energy: -263.109447
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -46.849
flat angles C4'-P-C4' energy: -53.118
flat angles P-C4'-P energy: -38.797
tors. eta vs tors. theta energy: -81.204
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: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -777.975961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.975961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.975961 (E_RNA)
where:
Base-Base interactions energy: -538.211
where: short stacking energy: -232.243
Base-Backbone interact. energy: 0.180
local terms energy: -239.945237
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -49.198
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -70.329
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: 282
Temperature: 1.100000
Total energy: -730.699949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.699949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.699949 (E_RNA)
where:
Base-Base interactions energy: -514.590
where: short stacking energy: -208.897
Base-Backbone interact. energy: -1.774
local terms energy: -214.335884
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -48.342
flat angles C4'-P-C4' energy: -47.296
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -63.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -706.952907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.952907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.952907 (E_RNA)
where:
Base-Base interactions energy: -489.918
where: short stacking energy: -208.057
Base-Backbone interact. energy: -0.311
local terms energy: -216.724205
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -33.583
tors. eta vs tors. theta energy: -58.159
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: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -669.829204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.829204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.829204 (E_RNA)
where:
Base-Base interactions energy: -465.185
where: short stacking energy: -191.046
Base-Backbone interact. energy: -1.411
local terms energy: -203.234043
where:
bonds (distance) C4'-P energy: -36.378
bonds (distance) P-C4' energy: -32.656
flat angles C4'-P-C4' energy: -40.570
flat angles P-C4'-P energy: -37.692
tors. eta vs tors. theta energy: -55.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -466.435189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.435189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.435189 (E_RNA)
where:
Base-Base interactions energy: -278.995
where: short stacking energy: -144.546
Base-Backbone interact. energy: 1.244
local terms energy: -188.684372
where:
bonds (distance) C4'-P energy: -41.510
bonds (distance) P-C4' energy: -41.888
flat angles C4'-P-C4' energy: -43.532
flat angles P-C4'-P energy: -24.061
tors. eta vs tors. theta energy: -37.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -231.026728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.026728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.026728 (E_RNA)
where:
Base-Base interactions energy: -88.184
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.673
local terms energy: -142.170103
where:
bonds (distance) C4'-P energy: -42.324
bonds (distance) P-C4' energy: -45.954
flat angles C4'-P-C4' energy: -34.555
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: 7.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -206.328888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.328888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.328888 (E_RNA)
where:
Base-Base interactions energy: -66.442
where: short stacking energy: -53.379
Base-Backbone interact. energy: -1.803
local terms energy: -138.084457
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -40.097
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -905.099579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.099579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.099579 (E_RNA)
where:
Base-Base interactions energy: -637.200
where: short stacking energy: -268.244
Base-Backbone interact. energy: -0.695
local terms energy: -267.204127
where:
bonds (distance) C4'-P energy: -47.360
bonds (distance) P-C4' energy: -48.873
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -34.372
tors. eta vs tors. theta energy: -83.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -898.673651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.673651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.673651 (E_RNA)
where:
Base-Base interactions energy: -627.097
where: short stacking energy: -279.993
Base-Backbone interact. energy: -0.443
local terms energy: -271.133996
where:
bonds (distance) C4'-P energy: -47.405
bonds (distance) P-C4' energy: -47.083
flat angles C4'-P-C4' energy: -50.335
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -87.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -895.234650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.234650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.234650 (E_RNA)
where:
Base-Base interactions energy: -624.469
where: short stacking energy: -258.539
Base-Backbone interact. energy: -0.133
local terms energy: -270.633073
where:
bonds (distance) C4'-P energy: -46.713
bonds (distance) P-C4' energy: -44.995
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -40.014
tors. eta vs tors. theta energy: -85.406
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: 283
Temperature: 1.050000
Total energy: -768.708378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.708378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.708378 (E_RNA)
where:
Base-Base interactions energy: -552.842
where: short stacking energy: -239.328
Base-Backbone interact. energy: -0.436
local terms energy: -215.430671
where:
bonds (distance) C4'-P energy: -34.675
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -51.069
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: -63.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -711.629594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.629594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.629594 (E_RNA)
where:
Base-Base interactions energy: -492.256
where: short stacking energy: -203.482
Base-Backbone interact. energy: -1.335
local terms energy: -218.039146
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -50.172
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -62.643
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: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -712.366050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.366050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.366050 (E_RNA)
where:
Base-Base interactions energy: -493.639
where: short stacking energy: -215.960
Base-Backbone interact. energy: -0.244
local terms energy: -218.483307
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -43.270
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -32.466
tors. eta vs tors. theta energy: -67.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -693.384655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.384655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.384655 (E_RNA)
where:
Base-Base interactions energy: -466.371
where: short stacking energy: -203.643
Base-Backbone interact. energy: -0.483
local terms energy: -226.531013
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -55.198
flat angles C4'-P-C4' energy: -42.384
flat angles P-C4'-P energy: -32.575
tors. eta vs tors. theta energy: -60.225
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -412.909652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.909652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.909652 (E_RNA)
where:
Base-Base interactions energy: -251.643
where: short stacking energy: -119.190
Base-Backbone interact. energy: -0.439
local terms energy: -160.826968
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -48.001
flat angles C4'-P-C4' energy: -37.218
flat angles P-C4'-P energy: -28.417
tors. eta vs tors. theta energy: -18.581
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: 283
Temperature: 1.300000
Total energy: -223.721492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.721492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.721492 (E_RNA)
where:
Base-Base interactions energy: -88.634
where: short stacking energy: -60.296
Base-Backbone interact. energy: -0.003
local terms energy: -135.083658
where:
bonds (distance) C4'-P energy: -36.461
bonds (distance) P-C4' energy: -47.336
flat angles C4'-P-C4' energy: -35.174
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -207.847071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.847071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.847071 (E_RNA)
where:
Base-Base interactions energy: -79.870
where: short stacking energy: -77.652
Base-Backbone interact. energy: 1.197
local terms energy: -129.174369
where:
bonds (distance) C4'-P energy: -33.755
bonds (distance) P-C4' energy: -31.364
flat angles C4'-P-C4' energy: -38.520
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -909.052859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.052859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.052859 (E_RNA)
where:
Base-Base interactions energy: -643.694
where: short stacking energy: -254.995
Base-Backbone interact. energy: -0.702
local terms energy: -264.656114
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -48.295
flat angles C4'-P-C4' energy: -51.698
flat angles P-C4'-P energy: -39.044
tors. eta vs tors. theta energy: -80.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -897.590021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.590021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.590021 (E_RNA)
where:
Base-Base interactions energy: -629.213
where: short stacking energy: -258.252
Base-Backbone interact. energy: 0.722
local terms energy: -269.098479
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -43.031
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -81.593
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: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -897.395848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.395848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.395848 (E_RNA)
where:
Base-Base interactions energy: -626.126
where: short stacking energy: -263.492
Base-Backbone interact. energy: -0.720
local terms energy: -270.549555
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -56.631
flat angles P-C4'-P energy: -41.451
tors. eta vs tors. theta energy: -82.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -779.884761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.884761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.884761 (E_RNA)
where:
Base-Base interactions energy: -538.045
where: short stacking energy: -243.947
Base-Backbone interact. energy: -1.265
local terms energy: -240.574634
where:
bonds (distance) C4'-P energy: -42.341
bonds (distance) P-C4' energy: -40.372
flat angles C4'-P-C4' energy: -48.139
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -76.368
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: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -692.470118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.470118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.470118 (E_RNA)
where:
Base-Base interactions energy: -477.501
where: short stacking energy: -208.234
Base-Backbone interact. energy: -0.435
local terms energy: -214.534055
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -42.850
flat angles C4'-P-C4' energy: -49.883
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -55.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -703.676445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.676445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.676445 (E_RNA)
where:
Base-Base interactions energy: -491.977
where: short stacking energy: -212.576
Base-Backbone interact. energy: -0.920
local terms energy: -210.778731
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -31.662
flat angles C4'-P-C4' energy: -46.063
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -60.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -684.813028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.813028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.813028 (E_RNA)
where:
Base-Base interactions energy: -456.468
where: short stacking energy: -203.068
Base-Backbone interact. energy: -0.415
local terms energy: -227.930077
where:
bonds (distance) C4'-P energy: -44.148
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -49.113
flat angles P-C4'-P energy: -33.057
tors. eta vs tors. theta energy: -55.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -415.984331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.984331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.984331 (E_RNA)
where:
Base-Base interactions energy: -233.034
where: short stacking energy: -110.007
Base-Backbone interact. energy: -1.015
local terms energy: -181.935285
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -47.041
flat angles C4'-P-C4' energy: -40.312
flat angles P-C4'-P energy: -30.576
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: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -218.203809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.203809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.203809 (E_RNA)
where:
Base-Base interactions energy: -80.155
where: short stacking energy: -72.536
Base-Backbone interact. energy: 1.466
local terms energy: -139.514495
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -40.042
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -197.527570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.527570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.527570 (E_RNA)
where:
Base-Base interactions energy: -57.829
where: short stacking energy: -44.491
Base-Backbone interact. energy: 1.386
local terms energy: -141.084867
where:
bonds (distance) C4'-P energy: -35.731
bonds (distance) P-C4' energy: -42.369
flat angles C4'-P-C4' energy: -42.556
flat angles P-C4'-P energy: -17.745
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -916.218646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.218646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.218646 (E_RNA)
where:
Base-Base interactions energy: -645.953
where: short stacking energy: -283.353
Base-Backbone interact. energy: -1.007
local terms energy: -269.258301
where:
bonds (distance) C4'-P energy: -47.180
bonds (distance) P-C4' energy: -43.880
flat angles C4'-P-C4' energy: -57.452
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -82.522
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: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -896.554109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.554109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.554109 (E_RNA)
where:
Base-Base interactions energy: -626.167
where: short stacking energy: -261.249
Base-Backbone interact. energy: 1.139
local terms energy: -271.526244
where:
bonds (distance) C4'-P energy: -49.484
bonds (distance) P-C4' energy: -48.601
flat angles C4'-P-C4' energy: -50.976
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -81.211
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: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -884.464689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.464689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.464689 (E_RNA)
where:
Base-Base interactions energy: -626.140
where: short stacking energy: -264.234
Base-Backbone interact. energy: -0.163
local terms energy: -258.162089
where:
bonds (distance) C4'-P energy: -39.650
bonds (distance) P-C4' energy: -45.427
flat angles C4'-P-C4' energy: -54.629
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: -82.871
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: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -776.598184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.598184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.598184 (E_RNA)
where:
Base-Base interactions energy: -535.872
where: short stacking energy: -230.982
Base-Backbone interact. energy: -0.560
local terms energy: -240.166053
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -38.398
flat angles C4'-P-C4' energy: -50.515
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: -69.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -696.071371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.071371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.071371 (E_RNA)
where:
Base-Base interactions energy: -479.020
where: short stacking energy: -207.652
Base-Backbone interact. energy: -0.907
local terms energy: -216.143682
where:
bonds (distance) C4'-P energy: -31.209
bonds (distance) P-C4' energy: -42.683
flat angles C4'-P-C4' energy: -50.274
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -58.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -734.872230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.872230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.872230 (E_RNA)
where:
Base-Base interactions energy: -518.267
where: short stacking energy: -227.014
Base-Backbone interact. energy: -0.978
local terms energy: -215.626645
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -70.041
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: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -658.596699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.596699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.596699 (E_RNA)
where:
Base-Base interactions energy: -453.592
where: short stacking energy: -201.120
Base-Backbone interact. energy: -0.303
local terms energy: -204.702565
where:
bonds (distance) C4'-P energy: -35.999
bonds (distance) P-C4' energy: -41.547
flat angles C4'-P-C4' energy: -42.877
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -53.115
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: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -431.882828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.882828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.882828 (E_RNA)
where:
Base-Base interactions energy: -268.589
where: short stacking energy: -138.628
Base-Backbone interact. energy: -2.641
local terms energy: -160.652848
where:
bonds (distance) C4'-P energy: -37.860
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -24.932
tors. eta vs tors. theta energy: -27.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -210.721891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.721891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.721891 (E_RNA)
where:
Base-Base interactions energy: -77.951
where: short stacking energy: -56.078
Base-Backbone interact. energy: -1.492
local terms energy: -131.278689
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -42.375
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: 4.844
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: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -203.324734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.324734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.324734 (E_RNA)
where:
Base-Base interactions energy: -68.796
where: short stacking energy: -60.906
Base-Backbone interact. energy: -0.685
local terms energy: -133.843662
where:
bonds (distance) C4'-P energy: -44.944
bonds (distance) P-C4' energy: -40.965
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: 2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -906.344412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.344412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.344412 (E_RNA)
where:
Base-Base interactions energy: -636.999
where: short stacking energy: -253.926
Base-Backbone interact. energy: -0.083
local terms energy: -269.261720
where:
bonds (distance) C4'-P energy: -50.813
bonds (distance) P-C4' energy: -47.575
flat angles C4'-P-C4' energy: -53.965
flat angles P-C4'-P energy: -36.557
tors. eta vs tors. theta energy: -80.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -892.972018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.972018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.972018 (E_RNA)
where:
Base-Base interactions energy: -632.332
where: short stacking energy: -270.592
Base-Backbone interact. energy: -0.473
local terms energy: -260.166615
where:
bonds (distance) C4'-P energy: -48.683
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -55.160
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -78.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -880.203044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.203044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.203044 (E_RNA)
where:
Base-Base interactions energy: -636.212
where: short stacking energy: -268.498
Base-Backbone interact. energy: -0.008
local terms energy: -243.983273
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -46.331
flat angles C4'-P-C4' energy: -45.704
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -80.887
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: 10
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -763.887343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.887343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.887343 (E_RNA)
where:
Base-Base interactions energy: -543.293
where: short stacking energy: -226.168
Base-Backbone interact. energy: -0.710
local terms energy: -219.884499
where:
bonds (distance) C4'-P energy: -38.602
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -47.334
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -65.962
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: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -740.725520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.725520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.725520 (E_RNA)
where:
Base-Base interactions energy: -507.531
where: short stacking energy: -204.620
Base-Backbone interact. energy: -2.084
local terms energy: -231.111099
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -46.131
flat angles C4'-P-C4' energy: -47.670
flat angles P-C4'-P energy: -30.141
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -679.855257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.855257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.855257 (E_RNA)
where:
Base-Base interactions energy: -468.906
where: short stacking energy: -197.389
Base-Backbone interact. energy: -0.742
local terms energy: -210.207435
where:
bonds (distance) C4'-P energy: -48.699
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -37.861
flat angles P-C4'-P energy: -27.772
tors. eta vs tors. theta energy: -52.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -701.185396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.185396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.185396 (E_RNA)
where:
Base-Base interactions energy: -493.112
where: short stacking energy: -205.586
Base-Backbone interact. energy: 0.074
local terms energy: -208.146810
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -51.649
flat angles C4'-P-C4' energy: -40.138
flat angles P-C4'-P energy: -24.672
tors. eta vs tors. theta energy: -59.855
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: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -412.353381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.353381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.353381 (E_RNA)
where:
Base-Base interactions energy: -224.715
where: short stacking energy: -121.301
Base-Backbone interact. energy: -1.140
local terms energy: -186.497873
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -30.681
tors. eta vs tors. theta energy: -28.377
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: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -232.897849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.897849 (E_RNA)
where:
Base-Base interactions energy: -78.874
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.298
local terms energy: -153.725650
where:
bonds (distance) C4'-P energy: -37.855
bonds (distance) P-C4' energy: -48.157
flat angles C4'-P-C4' energy: -38.166
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -186.065646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.065646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065646 (E_RNA)
where:
Base-Base interactions energy: -73.187
where: short stacking energy: -69.001
Base-Backbone interact. energy: -1.829
local terms energy: -111.049891
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -916.202405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.202405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.202405 (E_RNA)
where:
Base-Base interactions energy: -633.982
where: short stacking energy: -257.427
Base-Backbone interact. energy: -0.351
local terms energy: -281.869490
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -42.154
tors. eta vs tors. theta energy: -84.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -899.625642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.625642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.625642 (E_RNA)
where:
Base-Base interactions energy: -640.807
where: short stacking energy: -264.033
Base-Backbone interact. energy: -0.352
local terms energy: -258.466351
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -73.763
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: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -880.132041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.132041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.132041 (E_RNA)
where:
Base-Base interactions energy: -620.423
where: short stacking energy: -255.521
Base-Backbone interact. energy: 1.116
local terms energy: -260.824398
where:
bonds (distance) C4'-P energy: -44.627
bonds (distance) P-C4' energy: -50.225
flat angles C4'-P-C4' energy: -51.882
flat angles P-C4'-P energy: -36.801
tors. eta vs tors. theta energy: -77.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -780.453260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.453260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.453260 (E_RNA)
where:
Base-Base interactions energy: -542.883
where: short stacking energy: -223.143
Base-Backbone interact. energy: 0.950
local terms energy: -238.520078
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -45.104
flat angles C4'-P-C4' energy: -45.762
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: -74.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -749.548582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.548582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.548582 (E_RNA)
where:
Base-Base interactions energy: -517.780
where: short stacking energy: -207.959
Base-Backbone interact. energy: -2.372
local terms energy: -229.396062
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -46.487
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -63.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -683.027205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.027205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.027205 (E_RNA)
where:
Base-Base interactions energy: -465.925
where: short stacking energy: -194.399
Base-Backbone interact. energy: -0.329
local terms energy: -216.773243
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -45.165
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -53.276
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: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -699.288965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.288965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.288965 (E_RNA)
where:
Base-Base interactions energy: -463.818
where: short stacking energy: -206.851
Base-Backbone interact. energy: -0.188
local terms energy: -235.282077
where:
bonds (distance) C4'-P energy: -42.531
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: -54.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -394.942274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.942274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.942274 (E_RNA)
where:
Base-Base interactions energy: -226.982
where: short stacking energy: -107.438
Base-Backbone interact. energy: 2.125
local terms energy: -170.085431
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -39.520
flat angles C4'-P-C4' energy: -42.188
flat angles P-C4'-P energy: -24.682
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -295.316725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.316725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.316725 (E_RNA)
where:
Base-Base interactions energy: -142.951
where: short stacking energy: -94.737
Base-Backbone interact. energy: -0.617
local terms energy: -151.748521
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -41.738
flat angles C4'-P-C4' energy: -36.309
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -187.973028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.973028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.973028 (E_RNA)
where:
Base-Base interactions energy: -72.075
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.814
local terms energy: -115.083889
where:
bonds (distance) C4'-P energy: -41.930
bonds (distance) P-C4' energy: -37.751
flat angles C4'-P-C4' energy: -31.031
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: 14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -909.624710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.624710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.624710 (E_RNA)
where:
Base-Base interactions energy: -648.328
where: short stacking energy: -267.387
Base-Backbone interact. energy: -0.555
local terms energy: -260.742027
where:
bonds (distance) C4'-P energy: -45.478
bonds (distance) P-C4' energy: -48.201
flat angles C4'-P-C4' energy: -53.164
flat angles P-C4'-P energy: -34.605
tors. eta vs tors. theta energy: -79.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -896.189784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.189784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.189784 (E_RNA)
where:
Base-Base interactions energy: -638.839
where: short stacking energy: -265.322
Base-Backbone interact. energy: -0.721
local terms energy: -256.630483
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -46.642
flat angles C4'-P-C4' energy: -53.180
flat angles P-C4'-P energy: -34.126
tors. eta vs tors. theta energy: -80.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -883.936884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.936884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.936884 (E_RNA)
where:
Base-Base interactions energy: -618.401
where: short stacking energy: -256.677
Base-Backbone interact. energy: -0.046
local terms energy: -265.490475
where:
bonds (distance) C4'-P energy: -49.317
bonds (distance) P-C4' energy: -47.801
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -35.381
tors. eta vs tors. theta energy: -80.790
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: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -783.408621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.408621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.408621 (E_RNA)
where:
Base-Base interactions energy: -559.227
where: short stacking energy: -228.235
Base-Backbone interact. energy: -0.437
local terms energy: -223.744873
where:
bonds (distance) C4'-P energy: -43.476
bonds (distance) P-C4' energy: -39.817
flat angles C4'-P-C4' energy: -43.563
flat angles P-C4'-P energy: -32.086
tors. eta vs tors. theta energy: -64.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -756.604747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.604747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.604747 (E_RNA)
where:
Base-Base interactions energy: -533.923
where: short stacking energy: -208.174
Base-Backbone interact. energy: -1.113
local terms energy: -221.568973
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -44.639
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -64.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -697.576257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.576257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.576257 (E_RNA)
where:
Base-Base interactions energy: -479.324
where: short stacking energy: -202.426
Base-Backbone interact. energy: -0.420
local terms energy: -217.832565
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -43.208
flat angles C4'-P-C4' energy: -46.025
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: -54.179
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: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -738.776513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.776513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.776513 (E_RNA)
where:
Base-Base interactions energy: -504.457
where: short stacking energy: -222.403
Base-Backbone interact. energy: -0.057
local terms energy: -234.261872
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -44.853
flat angles C4'-P-C4' energy: -45.641
flat angles P-C4'-P energy: -29.934
tors. eta vs tors. theta energy: -72.356
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: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -403.441440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.441440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.441440 (E_RNA)
where:
Base-Base interactions energy: -240.224
where: short stacking energy: -108.504
Base-Backbone interact. energy: 0.134
local terms energy: -163.352080
where:
bonds (distance) C4'-P energy: -44.446
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -211.133857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.133857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.133857 (E_RNA)
where:
Base-Base interactions energy: -64.154
where: short stacking energy: -58.108
Base-Backbone interact. energy: -0.275
local terms energy: -146.705539
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -32.600
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -202.143723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.143723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.143723 (E_RNA)
where:
Base-Base interactions energy: -69.964
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.578
local terms energy: -131.602124
where:
bonds (distance) C4'-P energy: -37.347
bonds (distance) P-C4' energy: -38.327
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -916.650118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.650118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.650118 (E_RNA)
where:
Base-Base interactions energy: -656.877
where: short stacking energy: -267.003
Base-Backbone interact. energy: -0.983
local terms energy: -258.790116
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -43.946
flat angles C4'-P-C4' energy: -51.039
flat angles P-C4'-P energy: -39.021
tors. eta vs tors. theta energy: -82.799
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: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -891.042586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.042586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.042586 (E_RNA)
where:
Base-Base interactions energy: -622.683
where: short stacking energy: -252.882
Base-Backbone interact. energy: 0.427
local terms energy: -268.786654
where:
bonds (distance) C4'-P energy: -44.537
bonds (distance) P-C4' energy: -51.353
flat angles C4'-P-C4' energy: -56.711
flat angles P-C4'-P energy: -37.844
tors. eta vs tors. theta energy: -78.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -889.146701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.146701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.146701 (E_RNA)
where:
Base-Base interactions energy: -622.245
where: short stacking energy: -272.187
Base-Backbone interact. energy: -0.010
local terms energy: -266.891481
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -43.447
flat angles C4'-P-C4' energy: -49.835
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: -85.810
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: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -782.908839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.908839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.908839 (E_RNA)
where:
Base-Base interactions energy: -539.581
where: short stacking energy: -231.436
Base-Backbone interact. energy: -1.324
local terms energy: -242.003302
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -50.688
flat angles P-C4'-P energy: -37.604
tors. eta vs tors. theta energy: -67.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -748.453213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.453213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.453213 (E_RNA)
where:
Base-Base interactions energy: -522.296
where: short stacking energy: -195.587
Base-Backbone interact. energy: -2.756
local terms energy: -223.401612
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -42.694
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: -67.864
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: 289
Temperature: 1.150000
Total energy: -696.827519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.827519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.827519 (E_RNA)
where:
Base-Base interactions energy: -461.971
where: short stacking energy: -194.023
Base-Backbone interact. energy: 1.899
local terms energy: -236.756149
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -45.872
flat angles C4'-P-C4' energy: -52.416
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -56.200
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: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -713.521482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.521482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.521482 (E_RNA)
where:
Base-Base interactions energy: -513.559
where: short stacking energy: -217.290
Base-Backbone interact. energy: 1.933
local terms energy: -201.894985
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -45.413
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -69.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -431.356840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.356840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.356840 (E_RNA)
where:
Base-Base interactions energy: -265.729
where: short stacking energy: -141.672
Base-Backbone interact. energy: -3.088
local terms energy: -162.539938
where:
bonds (distance) C4'-P energy: -40.959
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -222.156612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.156612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.156612 (E_RNA)
where:
Base-Base interactions energy: -85.418
where: short stacking energy: -54.890
Base-Backbone interact. energy: 0.936
local terms energy: -137.674348
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -46.359
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: 2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -215.530531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.530531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.530531 (E_RNA)
where:
Base-Base interactions energy: -91.029
where: short stacking energy: -56.748
Base-Backbone interact. energy: 5.429
local terms energy: -129.931218
where:
bonds (distance) C4'-P energy: -32.347
bonds (distance) P-C4' energy: -45.597
flat angles C4'-P-C4' energy: -40.700
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: 8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -916.516057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.516057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.516057 (E_RNA)
where:
Base-Base interactions energy: -640.193
where: short stacking energy: -264.533
Base-Backbone interact. energy: -0.645
local terms energy: -275.678368
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -60.705
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -81.400
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: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -896.623891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.623891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.623891 (E_RNA)
where:
Base-Base interactions energy: -640.819
where: short stacking energy: -262.682
Base-Backbone interact. energy: -0.405
local terms energy: -255.399202
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -35.608
flat angles C4'-P-C4' energy: -53.341
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -83.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -902.765325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.765325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.765325 (E_RNA)
where:
Base-Base interactions energy: -641.329
where: short stacking energy: -267.807
Base-Backbone interact. energy: -0.292
local terms energy: -261.143708
where:
bonds (distance) C4'-P energy: -47.457
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -52.321
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -81.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -793.690019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.690019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.690019 (E_RNA)
where:
Base-Base interactions energy: -561.310
where: short stacking energy: -240.740
Base-Backbone interact. energy: -0.072
local terms energy: -232.308332
where:
bonds (distance) C4'-P energy: -40.038
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -31.124
tors. eta vs tors. theta energy: -66.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -772.283105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.283105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.283105 (E_RNA)
where:
Base-Base interactions energy: -536.505
where: short stacking energy: -221.329
Base-Backbone interact. energy: -0.833
local terms energy: -234.944934
where:
bonds (distance) C4'-P energy: -39.711
bonds (distance) P-C4' energy: -44.857
flat angles C4'-P-C4' energy: -50.837
flat angles P-C4'-P energy: -27.097
tors. eta vs tors. theta energy: -72.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -710.357485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.357485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.357485 (E_RNA)
where:
Base-Base interactions energy: -476.402
where: short stacking energy: -199.943
Base-Backbone interact. energy: -0.382
local terms energy: -233.573862
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -46.057
flat angles C4'-P-C4' energy: -51.825
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -55.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -712.738209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.738209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.738209 (E_RNA)
where:
Base-Base interactions energy: -487.185
where: short stacking energy: -195.711
Base-Backbone interact. energy: 1.438
local terms energy: -226.991349
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -43.205
flat angles C4'-P-C4' energy: -45.440
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -58.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -462.437108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.437108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.437108 (E_RNA)
where:
Base-Base interactions energy: -293.038
where: short stacking energy: -143.899
Base-Backbone interact. energy: -0.941
local terms energy: -168.457840
where:
bonds (distance) C4'-P energy: -37.082
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -26.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -311.571623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.571623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.571623 (E_RNA)
where:
Base-Base interactions energy: -161.729
where: short stacking energy: -99.411
Base-Backbone interact. energy: 4.162
local terms energy: -154.003746
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -24.906
tors. eta vs tors. theta energy: -18.874
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: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -202.976749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.976749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.976749 (E_RNA)
where:
Base-Base interactions energy: -82.682
where: short stacking energy: -70.824
Base-Backbone interact. energy: 1.050
local terms energy: -121.344461
where:
bonds (distance) C4'-P energy: -37.877
bonds (distance) P-C4' energy: -41.702
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: 7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -898.880448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.880448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.880448 (E_RNA)
where:
Base-Base interactions energy: -650.961
where: short stacking energy: -267.856
Base-Backbone interact. energy: -1.700
local terms energy: -246.219165
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -50.484
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -79.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -895.121227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.121227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.121227 (E_RNA)
where:
Base-Base interactions energy: -646.230
where: short stacking energy: -269.967
Base-Backbone interact. energy: -0.050
local terms energy: -248.841443
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -44.553
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -38.147
tors. eta vs tors. theta energy: -80.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -892.610209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.610209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.610209 (E_RNA)
where:
Base-Base interactions energy: -624.356
where: short stacking energy: -267.371
Base-Backbone interact. energy: -0.106
local terms energy: -268.147913
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -45.519
flat angles C4'-P-C4' energy: -54.557
flat angles P-C4'-P energy: -36.911
tors. eta vs tors. theta energy: -88.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -787.795212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.795212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.795212 (E_RNA)
where:
Base-Base interactions energy: -551.049
where: short stacking energy: -231.287
Base-Backbone interact. energy: -2.239
local terms energy: -234.507107
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -41.465
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -74.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -776.514925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.514925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.514925 (E_RNA)
where:
Base-Base interactions energy: -549.422
where: short stacking energy: -249.096
Base-Backbone interact. energy: -0.871
local terms energy: -226.221847
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -43.789
flat angles C4'-P-C4' energy: -47.552
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -68.909
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -710.068270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.068270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.068270 (E_RNA)
where:
Base-Base interactions energy: -496.803
where: short stacking energy: -199.173
Base-Backbone interact. energy: 0.799
local terms energy: -214.065040
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -43.475
flat angles C4'-P-C4' energy: -42.383
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -63.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -687.031555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.031555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.031555 (E_RNA)
where:
Base-Base interactions energy: -475.557
where: short stacking energy: -199.515
Base-Backbone interact. energy: 0.623
local terms energy: -212.097742
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -41.604
flat angles C4'-P-C4' energy: -48.009
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -58.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -431.857238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.857238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.857238 (E_RNA)
where:
Base-Base interactions energy: -254.148
where: short stacking energy: -122.841
Base-Backbone interact. energy: -0.527
local terms energy: -177.182115
where:
bonds (distance) C4'-P energy: -41.280
bonds (distance) P-C4' energy: -40.600
flat angles C4'-P-C4' energy: -43.335
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -27.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -225.408508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.408508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.408508 (E_RNA)
where:
Base-Base interactions energy: -91.453
where: short stacking energy: -69.004
Base-Backbone interact. energy: 2.161
local terms energy: -136.115829
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -45.348
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -19.718
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: 291
Temperature: 1.350000
Total energy: -197.880407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.880407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.880407 (E_RNA)
where:
Base-Base interactions energy: -74.380
where: short stacking energy: -54.360
Base-Backbone interact. energy: -0.276
local terms energy: -123.224206
where:
bonds (distance) C4'-P energy: -41.376
bonds (distance) P-C4' energy: -40.412
flat angles C4'-P-C4' energy: -36.216
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: 13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -893.458218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.458218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.458218 (E_RNA)
where:
Base-Base interactions energy: -626.367
where: short stacking energy: -258.998
Base-Backbone interact. energy: -0.051
local terms energy: -267.040235
where:
bonds (distance) C4'-P energy: -47.952
bonds (distance) P-C4' energy: -46.102
flat angles C4'-P-C4' energy: -56.064
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -79.337
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: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -902.088223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.088223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.088223 (E_RNA)
where:
Base-Base interactions energy: -649.816
where: short stacking energy: -270.435
Base-Backbone interact. energy: -0.561
local terms energy: -251.711388
where:
bonds (distance) C4'-P energy: -43.374
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -49.690
flat angles P-C4'-P energy: -32.544
tors. eta vs tors. theta energy: -81.660
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: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -879.714985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.714985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.714985 (E_RNA)
where:
Base-Base interactions energy: -623.117
where: short stacking energy: -252.289
Base-Backbone interact. energy: -0.058
local terms energy: -256.540570
where:
bonds (distance) C4'-P energy: -41.015
bonds (distance) P-C4' energy: -41.704
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -81.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -783.166452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.166452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.166452 (E_RNA)
where:
Base-Base interactions energy: -570.771
where: short stacking energy: -220.293
Base-Backbone interact. energy: 1.746
local terms energy: -214.141197
where:
bonds (distance) C4'-P energy: -40.494
bonds (distance) P-C4' energy: -37.283
flat angles C4'-P-C4' energy: -44.438
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -68.171
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: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -765.902659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.902659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.902659 (E_RNA)
where:
Base-Base interactions energy: -541.009
where: short stacking energy: -236.393
Base-Backbone interact. energy: -0.016
local terms energy: -224.877327
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -45.287
flat angles C4'-P-C4' energy: -41.218
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -69.006
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: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -727.275447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.275447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.275447 (E_RNA)
where:
Base-Base interactions energy: -494.788
where: short stacking energy: -215.819
Base-Backbone interact. energy: -0.678
local terms energy: -231.809572
where:
bonds (distance) C4'-P energy: -41.606
bonds (distance) P-C4' energy: -45.808
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -60.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -696.699165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.699165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.699165 (E_RNA)
where:
Base-Base interactions energy: -485.106
where: short stacking energy: -203.574
Base-Backbone interact. energy: -0.935
local terms energy: -210.658739
where:
bonds (distance) C4'-P energy: -35.041
bonds (distance) P-C4' energy: -33.683
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -35.530
tors. eta vs tors. theta energy: -59.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -449.060638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.060638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.060638 (E_RNA)
where:
Base-Base interactions energy: -273.260
where: short stacking energy: -145.433
Base-Backbone interact. energy: 1.091
local terms energy: -176.891266
where:
bonds (distance) C4'-P energy: -34.347
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -44.329
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: -34.290
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: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -236.633597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.633597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.633597 (E_RNA)
where:
Base-Base interactions energy: -85.584
where: short stacking energy: -69.251
Base-Backbone interact. energy: 0.969
local terms energy: -152.018424
where:
bonds (distance) C4'-P energy: -49.447
bonds (distance) P-C4' energy: -49.611
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -197.509905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.509905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.509905 (E_RNA)
where:
Base-Base interactions energy: -68.203
where: short stacking energy: -59.444
Base-Backbone interact. energy: -0.845
local terms energy: -128.461259
where:
bonds (distance) C4'-P energy: -41.859
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -30.091
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: 5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -914.414853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.414853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.414853 (E_RNA)
where:
Base-Base interactions energy: -656.956
where: short stacking energy: -278.358
Base-Backbone interact. energy: -0.178
local terms energy: -257.281316
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -41.856
flat angles C4'-P-C4' energy: -50.972
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -83.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -875.238834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.238834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.238834 (E_RNA)
where:
Base-Base interactions energy: -625.504
where: short stacking energy: -266.405
Base-Backbone interact. energy: -0.441
local terms energy: -249.293675
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -38.164
flat angles C4'-P-C4' energy: -53.025
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -79.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -888.252648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.252648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.252648 (E_RNA)
where:
Base-Base interactions energy: -628.768
where: short stacking energy: -266.896
Base-Backbone interact. energy: -0.512
local terms energy: -258.972984
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -40.884
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -83.153
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: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -778.710573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.710573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.710573 (E_RNA)
where:
Base-Base interactions energy: -550.403
where: short stacking energy: -219.658
Base-Backbone interact. energy: -0.829
local terms energy: -227.478544
where:
bonds (distance) C4'-P energy: -43.179
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: -72.892
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: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -765.472692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.472692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.472692 (E_RNA)
where:
Base-Base interactions energy: -532.713
where: short stacking energy: -221.807
Base-Backbone interact. energy: -0.820
local terms energy: -231.940355
where:
bonds (distance) C4'-P energy: -36.804
bonds (distance) P-C4' energy: -40.125
flat angles C4'-P-C4' energy: -53.389
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -67.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -726.387038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.387038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.387038 (E_RNA)
where:
Base-Base interactions energy: -521.603
where: short stacking energy: -206.900
Base-Backbone interact. energy: -0.469
local terms energy: -204.314752
where:
bonds (distance) C4'-P energy: -30.829
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -45.017
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -61.681
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: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -694.924492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.924492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.924492 (E_RNA)
where:
Base-Base interactions energy: -485.122
where: short stacking energy: -209.529
Base-Backbone interact. energy: -0.619
local terms energy: -209.182974
where:
bonds (distance) C4'-P energy: -36.279
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -50.894
flat angles P-C4'-P energy: -33.710
tors. eta vs tors. theta energy: -52.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -451.588748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.588748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.588748 (E_RNA)
where:
Base-Base interactions energy: -276.851
where: short stacking energy: -134.883
Base-Backbone interact. energy: -0.550
local terms energy: -174.188022
where:
bonds (distance) C4'-P energy: -43.517
bonds (distance) P-C4' energy: -43.161
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -26.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -242.002101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.002101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.002101 (E_RNA)
where:
Base-Base interactions energy: -102.101
where: short stacking energy: -80.543
Base-Backbone interact. energy: 0.753
local terms energy: -140.653960
where:
bonds (distance) C4'-P energy: -42.358
bonds (distance) P-C4' energy: -40.020
flat angles C4'-P-C4' energy: -32.652
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -8.031
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: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -209.816240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.816240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.816240 (E_RNA)
where:
Base-Base interactions energy: -83.910
where: short stacking energy: -74.008
Base-Backbone interact. energy: -0.476
local terms energy: -125.430474
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -41.856
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: 6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -909.656656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.656656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.656656 (E_RNA)
where:
Base-Base interactions energy: -640.903
where: short stacking energy: -270.392
Base-Backbone interact. energy: -0.106
local terms energy: -268.648319
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -47.556
flat angles C4'-P-C4' energy: -48.500
flat angles P-C4'-P energy: -45.976
tors. eta vs tors. theta energy: -82.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -878.297789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.297789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.297789 (E_RNA)
where:
Base-Base interactions energy: -611.570
where: short stacking energy: -253.813
Base-Backbone interact. energy: -0.349
local terms energy: -266.378706
where:
bonds (distance) C4'-P energy: -49.058
bonds (distance) P-C4' energy: -49.419
flat angles C4'-P-C4' energy: -53.800
flat angles P-C4'-P energy: -37.679
tors. eta vs tors. theta energy: -76.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -885.424327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.424327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.424327 (E_RNA)
where:
Base-Base interactions energy: -626.065
where: short stacking energy: -257.591
Base-Backbone interact. energy: -1.667
local terms energy: -257.691586
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -47.975
flat angles C4'-P-C4' energy: -55.098
flat angles P-C4'-P energy: -37.601
tors. eta vs tors. theta energy: -78.417
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: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -798.632579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.632579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.632579 (E_RNA)
where:
Base-Base interactions energy: -548.944
where: short stacking energy: -225.257
Base-Backbone interact. energy: -0.727
local terms energy: -248.961777
where:
bonds (distance) C4'-P energy: -43.926
bonds (distance) P-C4' energy: -49.021
flat angles C4'-P-C4' energy: -49.585
flat angles P-C4'-P energy: -31.972
tors. eta vs tors. theta energy: -74.458
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: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -762.622624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.622624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.622624 (E_RNA)
where:
Base-Base interactions energy: -539.320
where: short stacking energy: -223.694
Base-Backbone interact. energy: 1.364
local terms energy: -224.666423
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -35.853
flat angles C4'-P-C4' energy: -50.099
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -70.170
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: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -723.092182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.092182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.092182 (E_RNA)
where:
Base-Base interactions energy: -511.715
where: short stacking energy: -205.623
Base-Backbone interact. energy: 0.075
local terms energy: -211.451820
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -48.182
flat angles C4'-P-C4' energy: -44.361
flat angles P-C4'-P energy: -26.738
tors. eta vs tors. theta energy: -55.961
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: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -677.781840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.781840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.781840 (E_RNA)
where:
Base-Base interactions energy: -487.466
where: short stacking energy: -201.455
Base-Backbone interact. energy: 1.094
local terms energy: -191.409901
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -33.810
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -30.010
tors. eta vs tors. theta energy: -61.185
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: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -459.322512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.322512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.322512 (E_RNA)
where:
Base-Base interactions energy: -289.759
where: short stacking energy: -137.371
Base-Backbone interact. energy: -1.270
local terms energy: -168.293761
where:
bonds (distance) C4'-P energy: -27.292
bonds (distance) P-C4' energy: -30.442
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -26.694
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: 294
Temperature: 1.300000
Total energy: -221.263078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.263078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263078 (E_RNA)
where:
Base-Base interactions energy: -88.287
where: short stacking energy: -79.530
Base-Backbone interact. energy: -0.958
local terms energy: -132.018088
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -26.441
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: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -199.729304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.729304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.729304 (E_RNA)
where:
Base-Base interactions energy: -67.379
where: short stacking energy: -61.511
Base-Backbone interact. energy: -0.461
local terms energy: -131.890196
where:
bonds (distance) C4'-P energy: -33.677
bonds (distance) P-C4' energy: -35.273
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -910.364030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.364030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.364030 (E_RNA)
where:
Base-Base interactions energy: -644.583
where: short stacking energy: -269.741
Base-Backbone interact. energy: -0.165
local terms energy: -265.616217
where:
bonds (distance) C4'-P energy: -45.188
bonds (distance) P-C4' energy: -44.702
flat angles C4'-P-C4' energy: -58.003
flat angles P-C4'-P energy: -36.694
tors. eta vs tors. theta energy: -81.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -898.853633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.853633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.853633 (E_RNA)
where:
Base-Base interactions energy: -651.674
where: short stacking energy: -271.705
Base-Backbone interact. energy: -0.373
local terms energy: -246.807237
where:
bonds (distance) C4'-P energy: -34.001
bonds (distance) P-C4' energy: -42.502
flat angles C4'-P-C4' energy: -53.720
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -81.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -872.580724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.580724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.580724 (E_RNA)
where:
Base-Base interactions energy: -612.517
where: short stacking energy: -258.745
Base-Backbone interact. energy: 0.335
local terms energy: -260.398547
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -44.053
flat angles C4'-P-C4' energy: -53.384
flat angles P-C4'-P energy: -37.224
tors. eta vs tors. theta energy: -79.921
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: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -777.423508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.423508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.423508 (E_RNA)
where:
Base-Base interactions energy: -547.047
where: short stacking energy: -223.276
Base-Backbone interact. energy: 0.061
local terms energy: -230.437605
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -49.705
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -70.504
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: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -728.914647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.914647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.914647 (E_RNA)
where:
Base-Base interactions energy: -509.319
where: short stacking energy: -222.792
Base-Backbone interact. energy: 0.152
local terms energy: -219.747236
where:
bonds (distance) C4'-P energy: -37.146
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -43.641
flat angles P-C4'-P energy: -37.267
tors. eta vs tors. theta energy: -65.679
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: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -724.604883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.604883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.604883 (E_RNA)
where:
Base-Base interactions energy: -501.799
where: short stacking energy: -208.021
Base-Backbone interact. energy: 0.688
local terms energy: -223.494309
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -52.798
flat angles P-C4'-P energy: -31.112
tors. eta vs tors. theta energy: -58.681
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: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -674.865416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.865416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.865416 (E_RNA)
where:
Base-Base interactions energy: -461.239
where: short stacking energy: -185.841
Base-Backbone interact. energy: -0.230
local terms energy: -213.396403
where:
bonds (distance) C4'-P energy: -40.048
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -31.741
tors. eta vs tors. theta energy: -54.180
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: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -499.090941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.090941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.090941 (E_RNA)
where:
Base-Base interactions energy: -315.417
where: short stacking energy: -149.342
Base-Backbone interact. energy: -0.917
local terms energy: -182.757111
where:
bonds (distance) C4'-P energy: -36.370
bonds (distance) P-C4' energy: -39.532
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -37.094
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: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -228.368608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.368608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.368608 (E_RNA)
where:
Base-Base interactions energy: -102.250
where: short stacking energy: -96.194
Base-Backbone interact. energy: -0.417
local terms energy: -125.702157
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -29.757
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -191.091093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.091093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.091093 (E_RNA)
where:
Base-Base interactions energy: -51.052
where: short stacking energy: -45.961
Base-Backbone interact. energy: -1.179
local terms energy: -138.859406
where:
bonds (distance) C4'-P energy: -38.099
bonds (distance) P-C4' energy: -44.401
flat angles C4'-P-C4' energy: -41.259
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: 11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -894.354140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.354140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.354140 (E_RNA)
where:
Base-Base interactions energy: -632.953
where: short stacking energy: -263.136
Base-Backbone interact. energy: 1.998
local terms energy: -263.399262
where:
bonds (distance) C4'-P energy: -43.381
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -79.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -896.499347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.499347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.499347 (E_RNA)
where:
Base-Base interactions energy: -643.615
where: short stacking energy: -269.653
Base-Backbone interact. energy: -0.007
local terms energy: -252.877454
where:
bonds (distance) C4'-P energy: -43.591
bonds (distance) P-C4' energy: -45.156
flat angles C4'-P-C4' energy: -49.135
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -80.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -876.842619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.842619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.842619 (E_RNA)
where:
Base-Base interactions energy: -611.422
where: short stacking energy: -259.741
Base-Backbone interact. energy: -1.207
local terms energy: -264.213707
where:
bonds (distance) C4'-P energy: -43.631
bonds (distance) P-C4' energy: -49.892
flat angles C4'-P-C4' energy: -49.196
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -80.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -783.101876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.101876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.101876 (E_RNA)
where:
Base-Base interactions energy: -550.128
where: short stacking energy: -234.177
Base-Backbone interact. energy: 0.956
local terms energy: -233.929865
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -49.070
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -70.385
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: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -745.752618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.752618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.752618 (E_RNA)
where:
Base-Base interactions energy: -517.961
where: short stacking energy: -216.377
Base-Backbone interact. energy: -0.547
local terms energy: -227.244575
where:
bonds (distance) C4'-P energy: -38.007
bonds (distance) P-C4' energy: -43.420
flat angles C4'-P-C4' energy: -52.430
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -64.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -734.273176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.273176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.273176 (E_RNA)
where:
Base-Base interactions energy: -523.905
where: short stacking energy: -221.256
Base-Backbone interact. energy: -0.133
local terms energy: -210.234369
where:
bonds (distance) C4'-P energy: -30.490
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -51.324
flat angles P-C4'-P energy: -28.941
tors. eta vs tors. theta energy: -62.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -676.936634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.936634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.936634 (E_RNA)
where:
Base-Base interactions energy: -485.168
where: short stacking energy: -205.258
Base-Backbone interact. energy: -1.316
local terms energy: -190.452337
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -37.969
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -51.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -487.469283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.469283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.469283 (E_RNA)
where:
Base-Base interactions energy: -308.650
where: short stacking energy: -170.227
Base-Backbone interact. energy: 0.983
local terms energy: -179.801817
where:
bonds (distance) C4'-P energy: -39.716
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -36.463
flat angles P-C4'-P energy: -25.111
tors. eta vs tors. theta energy: -37.683
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: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -214.847070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.847070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.847070 (E_RNA)
where:
Base-Base interactions energy: -73.590
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.372
local terms energy: -140.884754
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -38.016
flat angles C4'-P-C4' energy: -37.451
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: 4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -217.129429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.129429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.129429 (E_RNA)
where:
Base-Base interactions energy: -109.427
where: short stacking energy: -60.322
Base-Backbone interact. energy: -0.375
local terms energy: -107.327850
where:
bonds (distance) C4'-P energy: -33.092
bonds (distance) P-C4' energy: -37.024
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -913.617759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.617759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.617759 (E_RNA)
where:
Base-Base interactions energy: -654.165
where: short stacking energy: -276.842
Base-Backbone interact. energy: -0.550
local terms energy: -258.902326
where:
bonds (distance) C4'-P energy: -45.981
bonds (distance) P-C4' energy: -40.999
flat angles C4'-P-C4' energy: -56.162
flat angles P-C4'-P energy: -33.543
tors. eta vs tors. theta energy: -82.216
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: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -896.344108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.344108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.344108 (E_RNA)
where:
Base-Base interactions energy: -634.157
where: short stacking energy: -266.527
Base-Backbone interact. energy: -0.543
local terms energy: -261.644012
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -47.302
flat angles C4'-P-C4' energy: -57.942
flat angles P-C4'-P energy: -38.223
tors. eta vs tors. theta energy: -80.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -886.109230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.109230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.109230 (E_RNA)
where:
Base-Base interactions energy: -622.288
where: short stacking energy: -269.569
Base-Backbone interact. energy: -0.073
local terms energy: -263.748937
where:
bonds (distance) C4'-P energy: -54.586
bonds (distance) P-C4' energy: -34.411
flat angles C4'-P-C4' energy: -52.873
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -85.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -784.225611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.225611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.225611 (E_RNA)
where:
Base-Base interactions energy: -533.548
where: short stacking energy: -215.919
Base-Backbone interact. energy: -1.311
local terms energy: -249.367026
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -49.732
flat angles C4'-P-C4' energy: -51.965
flat angles P-C4'-P energy: -33.007
tors. eta vs tors. theta energy: -73.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -741.750176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.750176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.750176 (E_RNA)
where:
Base-Base interactions energy: -531.020
where: short stacking energy: -226.744
Base-Backbone interact. energy: -0.262
local terms energy: -210.468447
where:
bonds (distance) C4'-P energy: -30.661
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -46.105
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -64.669
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: 297
Temperature: 1.150000
Total energy: -726.073332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.073332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.073332 (E_RNA)
where:
Base-Base interactions energy: -512.122
where: short stacking energy: -229.011
Base-Backbone interact. energy: 0.066
local terms energy: -214.016864
where:
bonds (distance) C4'-P energy: -39.812
bonds (distance) P-C4' energy: -41.229
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -62.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -702.073740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.073740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.073740 (E_RNA)
where:
Base-Base interactions energy: -496.075
where: short stacking energy: -211.260
Base-Backbone interact. energy: 0.726
local terms energy: -206.724740
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -46.202
flat angles P-C4'-P energy: -30.657
tors. eta vs tors. theta energy: -59.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -506.050247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.050247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.050247 (E_RNA)
where:
Base-Base interactions energy: -324.991
where: short stacking energy: -153.016
Base-Backbone interact. energy: -0.189
local terms energy: -180.870159
where:
bonds (distance) C4'-P energy: -43.778
bonds (distance) P-C4' energy: -35.712
flat angles C4'-P-C4' energy: -39.797
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -33.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -223.057775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.057775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.057775 (E_RNA)
where:
Base-Base interactions energy: -78.011
where: short stacking energy: -64.001
Base-Backbone interact. energy: 0.227
local terms energy: -145.273175
where:
bonds (distance) C4'-P energy: -41.396
bonds (distance) P-C4' energy: -33.760
flat angles C4'-P-C4' energy: -41.102
flat angles P-C4'-P energy: -25.215
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: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -208.024831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.024831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.024831 (E_RNA)
where:
Base-Base interactions energy: -69.286
where: short stacking energy: -66.596
Base-Backbone interact. energy: 2.476
local terms energy: -141.214715
where:
bonds (distance) C4'-P energy: -40.929
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -37.684
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: 1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -914.293854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.293854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.293854 (E_RNA)
where:
Base-Base interactions energy: -662.386
where: short stacking energy: -275.566
Base-Backbone interact. energy: -1.436
local terms energy: -250.471323
where:
bonds (distance) C4'-P energy: -41.650
bonds (distance) P-C4' energy: -47.313
flat angles C4'-P-C4' energy: -49.447
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -79.655
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: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -901.748807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.748807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.748807 (E_RNA)
where:
Base-Base interactions energy: -636.416
where: short stacking energy: -275.307
Base-Backbone interact. energy: -0.431
local terms energy: -264.901479
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -46.900
flat angles C4'-P-C4' energy: -46.936
flat angles P-C4'-P energy: -40.478
tors. eta vs tors. theta energy: -85.273
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: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -890.690288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.690288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.690288 (E_RNA)
where:
Base-Base interactions energy: -629.363
where: short stacking energy: -265.260
Base-Backbone interact. energy: -0.051
local terms energy: -261.275893
where:
bonds (distance) C4'-P energy: -38.981
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -52.163
flat angles P-C4'-P energy: -40.864
tors. eta vs tors. theta energy: -82.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -774.265610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.265610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.265610 (E_RNA)
where:
Base-Base interactions energy: -544.537
where: short stacking energy: -242.363
Base-Backbone interact. energy: -0.268
local terms energy: -229.460371
where:
bonds (distance) C4'-P energy: -38.637
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -72.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -747.803596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.803596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.803596 (E_RNA)
where:
Base-Base interactions energy: -530.979
where: short stacking energy: -223.108
Base-Backbone interact. energy: 1.045
local terms energy: -217.869288
where:
bonds (distance) C4'-P energy: -35.431
bonds (distance) P-C4' energy: -34.195
flat angles C4'-P-C4' energy: -41.337
flat angles P-C4'-P energy: -38.918
tors. eta vs tors. theta energy: -67.988
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -730.842989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.842989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.842989 (E_RNA)
where:
Base-Base interactions energy: -513.885
where: short stacking energy: -205.792
Base-Backbone interact. energy: -0.108
local terms energy: -216.850439
where:
bonds (distance) C4'-P energy: -47.396
bonds (distance) P-C4' energy: -39.078
flat angles C4'-P-C4' energy: -46.394
flat angles P-C4'-P energy: -29.093
tors. eta vs tors. theta energy: -54.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -680.299543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.299543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.299543 (E_RNA)
where:
Base-Base interactions energy: -474.916
where: short stacking energy: -205.643
Base-Backbone interact. energy: -0.326
local terms energy: -205.057553
where:
bonds (distance) C4'-P energy: -38.512
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -41.529
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -62.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -519.941027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.941027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.941027 (E_RNA)
where:
Base-Base interactions energy: -331.570
where: short stacking energy: -167.324
Base-Backbone interact. energy: -1.482
local terms energy: -186.888732
where:
bonds (distance) C4'-P energy: -36.147
bonds (distance) P-C4' energy: -33.175
flat angles C4'-P-C4' energy: -41.003
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -46.201
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: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -215.530018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.530018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.530018 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.137
local terms energy: -133.326371
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -44.664
flat angles C4'-P-C4' energy: -30.434
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: 6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -197.934822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.934822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.934822 (E_RNA)
where:
Base-Base interactions energy: -71.450
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.460
local terms energy: -126.024792
where:
bonds (distance) C4'-P energy: -30.399
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -40.317
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -929.888230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.888230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.888230 (E_RNA)
where:
Base-Base interactions energy: -650.011
where: short stacking energy: -273.842
Base-Backbone interact. energy: -0.869
local terms energy: -279.008219
where:
bonds (distance) C4'-P energy: -47.821
bonds (distance) P-C4' energy: -51.016
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: -82.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -895.927576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.927576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.927576 (E_RNA)
where:
Base-Base interactions energy: -618.958
where: short stacking energy: -267.883
Base-Backbone interact. energy: -0.610
local terms energy: -276.359456
where:
bonds (distance) C4'-P energy: -48.245
bonds (distance) P-C4' energy: -46.789
flat angles C4'-P-C4' energy: -51.174
flat angles P-C4'-P energy: -44.020
tors. eta vs tors. theta energy: -86.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -874.744706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.744706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.744706 (E_RNA)
where:
Base-Base interactions energy: -627.056
where: short stacking energy: -272.748
Base-Backbone interact. energy: -0.436
local terms energy: -247.252546
where:
bonds (distance) C4'-P energy: -35.057
bonds (distance) P-C4' energy: -39.059
flat angles C4'-P-C4' energy: -50.853
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -84.791
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: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -766.605972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.605972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.605972 (E_RNA)
where:
Base-Base interactions energy: -534.909
where: short stacking energy: -224.881
Base-Backbone interact. energy: 0.195
local terms energy: -231.892264
where:
bonds (distance) C4'-P energy: -41.756
bonds (distance) P-C4' energy: -39.729
flat angles C4'-P-C4' energy: -51.284
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -72.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -745.128969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.128969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.128969 (E_RNA)
where:
Base-Base interactions energy: -515.445
where: short stacking energy: -213.269
Base-Backbone interact. energy: 0.460
local terms energy: -230.143300
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -42.947
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -33.957
tors. eta vs tors. theta energy: -68.889
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: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -701.093665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.093665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.093665 (E_RNA)
where:
Base-Base interactions energy: -484.013
where: short stacking energy: -194.638
Base-Backbone interact. energy: -1.804
local terms energy: -215.277330
where:
bonds (distance) C4'-P energy: -39.002
bonds (distance) P-C4' energy: -43.133
flat angles C4'-P-C4' energy: -47.126
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -51.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -693.030499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.030499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.030499 (E_RNA)
where:
Base-Base interactions energy: -483.657
where: short stacking energy: -205.509
Base-Backbone interact. energy: 0.569
local terms energy: -209.943250
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -44.000
flat angles C4'-P-C4' energy: -50.806
flat angles P-C4'-P energy: -28.060
tors. eta vs tors. theta energy: -57.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -547.869949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.869949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.869949 (E_RNA)
where:
Base-Base interactions energy: -354.810
where: short stacking energy: -171.197
Base-Backbone interact. energy: 0.033
local terms energy: -193.092362
where:
bonds (distance) C4'-P energy: -36.638
bonds (distance) P-C4' energy: -39.046
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -27.506
tors. eta vs tors. theta energy: -50.785
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: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -208.550972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.550972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.550972 (E_RNA)
where:
Base-Base interactions energy: -71.641
where: short stacking energy: -64.764
Base-Backbone interact. energy: -0.633
local terms energy: -136.276584
where:
bonds (distance) C4'-P energy: -33.291
bonds (distance) P-C4' energy: -43.571
flat angles C4'-P-C4' energy: -36.889
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: 2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -212.131374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.131374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.131374 (E_RNA)
where:
Base-Base interactions energy: -87.159
where: short stacking energy: -68.516
Base-Backbone interact. energy: -1.032
local terms energy: -123.940313
where:
bonds (distance) C4'-P energy: -42.592
bonds (distance) P-C4' energy: -38.463
flat angles C4'-P-C4' energy: -31.476
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: 6.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -906.352453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.352453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.352453 (E_RNA)
where:
Base-Base interactions energy: -648.850
where: short stacking energy: -272.355
Base-Backbone interact. energy: -0.227
local terms energy: -257.275419
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -48.223
flat angles C4'-P-C4' energy: -48.602
flat angles P-C4'-P energy: -34.948
tors. eta vs tors. theta energy: -82.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -907.151185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.151185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.151185 (E_RNA)
where:
Base-Base interactions energy: -627.935
where: short stacking energy: -268.650
Base-Backbone interact. energy: -0.098
local terms energy: -279.118375
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -46.890
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -40.933
tors. eta vs tors. theta energy: -87.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -874.856238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.856238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.856238 (E_RNA)
where:
Base-Base interactions energy: -603.924
where: short stacking energy: -251.518
Base-Backbone interact. energy: -0.762
local terms energy: -270.171076
where:
bonds (distance) C4'-P energy: -42.893
bonds (distance) P-C4' energy: -46.805
flat angles C4'-P-C4' energy: -53.908
flat angles P-C4'-P energy: -43.636
tors. eta vs tors. theta energy: -82.929
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: 300
Temperature: 1.050000
Total energy: -780.646770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.646770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.646770 (E_RNA)
where:
Base-Base interactions energy: -539.606
where: short stacking energy: -215.575
Base-Backbone interact. energy: -0.868
local terms energy: -240.172613
where:
bonds (distance) C4'-P energy: -46.288
bonds (distance) P-C4' energy: -46.187
flat angles C4'-P-C4' energy: -47.874
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -66.643
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: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -759.013837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.013837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.013837 (E_RNA)
where:
Base-Base interactions energy: -527.083
where: short stacking energy: -225.146
Base-Backbone interact. energy: 0.415
local terms energy: -232.345674
where:
bonds (distance) C4'-P energy: -34.970
bonds (distance) P-C4' energy: -43.983
flat angles C4'-P-C4' energy: -50.711
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -67.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -725.133251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.133251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.133251 (E_RNA)
where:
Base-Base interactions energy: -514.425
where: short stacking energy: -201.777
Base-Backbone interact. energy: 1.843
local terms energy: -212.551185
where:
bonds (distance) C4'-P energy: -33.565
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -47.603
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: -52.742
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: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -691.213398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.213398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.213398 (E_RNA)
where:
Base-Base interactions energy: -479.294
where: short stacking energy: -204.835
Base-Backbone interact. energy: 0.206
local terms energy: -212.125176
where:
bonds (distance) C4'-P energy: -31.736
bonds (distance) P-C4' energy: -42.184
flat angles C4'-P-C4' energy: -39.643
flat angles P-C4'-P energy: -34.040
tors. eta vs tors. theta energy: -64.523
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: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -526.197687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.197687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.197687 (E_RNA)
where:
Base-Base interactions energy: -349.940
where: short stacking energy: -167.820
Base-Backbone interact. energy: -0.273
local terms energy: -175.984008
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -26.118
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: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -208.308574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.308574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.308574 (E_RNA)
where:
Base-Base interactions energy: -86.905
where: short stacking energy: -66.446
Base-Backbone interact. energy: -1.245
local terms energy: -120.158181
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -37.740
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: 6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -207.520618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.520618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.520618 (E_RNA)
where:
Base-Base interactions energy: -81.715
where: short stacking energy: -57.188
Base-Backbone interact. energy: 0.866
local terms energy: -126.671675
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -34.621
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: 5.834
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: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -916.617886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.617886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.617886 (E_RNA)
where:
Base-Base interactions energy: -645.433
where: short stacking energy: -259.945
Base-Backbone interact. energy: -0.035
local terms energy: -271.149194
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -51.142
flat angles C4'-P-C4' energy: -55.439
flat angles P-C4'-P energy: -40.794
tors. eta vs tors. theta energy: -79.432
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: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -893.227617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.227617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.227617 (E_RNA)
where:
Base-Base interactions energy: -625.662
where: short stacking energy: -250.638
Base-Backbone interact. energy: -0.715
local terms energy: -266.849740
where:
bonds (distance) C4'-P energy: -46.170
bonds (distance) P-C4' energy: -41.465
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -45.483
tors. eta vs tors. theta energy: -80.036
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: 301
Temperature: 1.000000
Total energy: -888.015560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.015560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.015560 (E_RNA)
where:
Base-Base interactions energy: -628.298
where: short stacking energy: -263.622
Base-Backbone interact. energy: -0.002
local terms energy: -259.715385
where:
bonds (distance) C4'-P energy: -39.972
bonds (distance) P-C4' energy: -46.601
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -80.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -775.137051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.137051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.137051 (E_RNA)
where:
Base-Base interactions energy: -545.137
where: short stacking energy: -235.291
Base-Backbone interact. energy: 1.000
local terms energy: -231.000843
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -35.298
flat angles C4'-P-C4' energy: -50.466
flat angles P-C4'-P energy: -31.060
tors. eta vs tors. theta energy: -73.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -778.094331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.094331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.094331 (E_RNA)
where:
Base-Base interactions energy: -539.685
where: short stacking energy: -224.470
Base-Backbone interact. energy: -1.023
local terms energy: -237.386137
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -42.423
flat angles C4'-P-C4' energy: -54.519
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -69.631
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: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -750.045597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.045597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.045597 (E_RNA)
where:
Base-Base interactions energy: -539.043
where: short stacking energy: -217.690
Base-Backbone interact. energy: -0.608
local terms energy: -210.394579
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -30.855
flat angles C4'-P-C4' energy: -39.725
flat angles P-C4'-P energy: -33.307
tors. eta vs tors. theta energy: -65.295
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: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -666.793961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.793961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.793961 (E_RNA)
where:
Base-Base interactions energy: -451.802
where: short stacking energy: -205.006
Base-Backbone interact. energy: -0.575
local terms energy: -214.416793
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -35.339
flat angles C4'-P-C4' energy: -48.744
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -58.765
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: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -499.191792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.191792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.191792 (E_RNA)
where:
Base-Base interactions energy: -320.579
where: short stacking energy: -153.013
Base-Backbone interact. energy: 1.789
local terms energy: -180.401390
where:
bonds (distance) C4'-P energy: -30.731
bonds (distance) P-C4' energy: -41.111
flat angles C4'-P-C4' energy: -41.120
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -40.174
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: 301
Temperature: 1.300000
Total energy: -232.555595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.555595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.555595 (E_RNA)
where:
Base-Base interactions energy: -95.683
where: short stacking energy: -83.279
Base-Backbone interact. energy: -0.673
local terms energy: -136.199607
where:
bonds (distance) C4'-P energy: -36.215
bonds (distance) P-C4' energy: -38.124
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -216.406652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.406652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.406652 (E_RNA)
where:
Base-Base interactions energy: -85.214
where: short stacking energy: -61.768
Base-Backbone interact. energy: 1.176
local terms energy: -132.369404
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -37.819
flat angles C4'-P-C4' energy: -34.460
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -917.329369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.329369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.329369 (E_RNA)
where:
Base-Base interactions energy: -655.682
where: short stacking energy: -268.616
Base-Backbone interact. energy: -0.125
local terms energy: -261.522597
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -84.830
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: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -900.568860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.568860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.568860 (E_RNA)
where:
Base-Base interactions energy: -630.696
where: short stacking energy: -266.327
Base-Backbone interact. energy: -0.251
local terms energy: -269.621938
where:
bonds (distance) C4'-P energy: -49.265
bonds (distance) P-C4' energy: -48.985
flat angles C4'-P-C4' energy: -56.966
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -80.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -885.619646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.619646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.619646 (E_RNA)
where:
Base-Base interactions energy: -629.149
where: short stacking energy: -270.491
Base-Backbone interact. energy: -0.359
local terms energy: -256.111408
where:
bonds (distance) C4'-P energy: -42.839
bonds (distance) P-C4' energy: -44.809
flat angles C4'-P-C4' energy: -50.567
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -82.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -775.910527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.910527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.910527 (E_RNA)
where:
Base-Base interactions energy: -532.791
where: short stacking energy: -236.102
Base-Backbone interact. energy: -0.480
local terms energy: -242.638804
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -49.464
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -74.825
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: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -764.060821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.060821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.060821 (E_RNA)
where:
Base-Base interactions energy: -520.137
where: short stacking energy: -235.681
Base-Backbone interact. energy: -0.911
local terms energy: -243.012833
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -46.551
flat angles C4'-P-C4' energy: -54.156
flat angles P-C4'-P energy: -32.793
tors. eta vs tors. theta energy: -70.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -718.744033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.744033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.744033 (E_RNA)
where:
Base-Base interactions energy: -507.531
where: short stacking energy: -207.226
Base-Backbone interact. energy: -1.180
local terms energy: -210.033506
where:
bonds (distance) C4'-P energy: -34.699
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -46.727
flat angles P-C4'-P energy: -34.721
tors. eta vs tors. theta energy: -57.469
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: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -645.368503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.368503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.368503 (E_RNA)
where:
Base-Base interactions energy: -435.185
where: short stacking energy: -195.246
Base-Backbone interact. energy: -0.659
local terms energy: -209.524236
where:
bonds (distance) C4'-P energy: -40.499
bonds (distance) P-C4' energy: -45.006
flat angles C4'-P-C4' energy: -42.702
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: -52.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -443.571392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.571392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.571392 (E_RNA)
where:
Base-Base interactions energy: -296.702
where: short stacking energy: -139.174
Base-Backbone interact. energy: 0.094
local terms energy: -146.962667
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -36.587
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -29.103
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: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -228.255142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.255142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.255142 (E_RNA)
where:
Base-Base interactions energy: -84.303
where: short stacking energy: -74.817
Base-Backbone interact. energy: -0.841
local terms energy: -143.111285
where:
bonds (distance) C4'-P energy: -42.789
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -40.358
flat angles P-C4'-P energy: -27.310
tors. eta vs tors. theta energy: -0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -194.158940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158940 (E_RNA)
where:
Base-Base interactions energy: -59.284
where: short stacking energy: -50.831
Base-Backbone interact. energy: 1.692
local terms energy: -136.567201
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: 1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -911.876144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.876144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.876144 (E_RNA)
where:
Base-Base interactions energy: -636.612
where: short stacking energy: -269.050
Base-Backbone interact. energy: -0.034
local terms energy: -275.230296
where:
bonds (distance) C4'-P energy: -43.269
bonds (distance) P-C4' energy: -46.010
flat angles C4'-P-C4' energy: -58.325
flat angles P-C4'-P energy: -44.334
tors. eta vs tors. theta energy: -83.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -900.567787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.567787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.567787 (E_RNA)
where:
Base-Base interactions energy: -628.237
where: short stacking energy: -262.076
Base-Backbone interact. energy: -1.241
local terms energy: -271.089375
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -54.802
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -85.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -883.347523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.347523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.347523 (E_RNA)
where:
Base-Base interactions energy: -631.552
where: short stacking energy: -260.785
Base-Backbone interact. energy: -0.707
local terms energy: -251.088918
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -50.963
flat angles P-C4'-P energy: -30.860
tors. eta vs tors. theta energy: -80.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -795.695510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.695510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.695510 (E_RNA)
where:
Base-Base interactions energy: -543.837
where: short stacking energy: -219.069
Base-Backbone interact. energy: -1.950
local terms energy: -249.908014
where:
bonds (distance) C4'-P energy: -43.130
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -46.860
flat angles P-C4'-P energy: -37.657
tors. eta vs tors. theta energy: -77.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -763.403125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.403125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.403125 (E_RNA)
where:
Base-Base interactions energy: -532.910
where: short stacking energy: -224.009
Base-Backbone interact. energy: -0.951
local terms energy: -229.541534
where:
bonds (distance) C4'-P energy: -39.648
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -50.767
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -67.979
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: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -741.080931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.080931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.080931 (E_RNA)
where:
Base-Base interactions energy: -518.908
where: short stacking energy: -218.069
Base-Backbone interact. energy: -0.066
local terms energy: -222.107236
where:
bonds (distance) C4'-P energy: -36.965
bonds (distance) P-C4' energy: -38.639
flat angles C4'-P-C4' energy: -49.106
flat angles P-C4'-P energy: -31.895
tors. eta vs tors. theta energy: -65.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -664.818272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.818272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.818272 (E_RNA)
where:
Base-Base interactions energy: -461.230
where: short stacking energy: -199.031
Base-Backbone interact. energy: 0.036
local terms energy: -203.624289
where:
bonds (distance) C4'-P energy: -35.862
bonds (distance) P-C4' energy: -43.110
flat angles C4'-P-C4' energy: -42.192
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -53.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -490.124962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.124962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.124962 (E_RNA)
where:
Base-Base interactions energy: -310.258
where: short stacking energy: -139.570
Base-Backbone interact. energy: 0.408
local terms energy: -180.275242
where:
bonds (distance) C4'-P energy: -40.882
bonds (distance) P-C4' energy: -40.044
flat angles C4'-P-C4' energy: -42.354
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -33.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -231.941100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.941100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.941100 (E_RNA)
where:
Base-Base interactions energy: -114.518
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.554
local terms energy: -116.868777
where:
bonds (distance) C4'-P energy: -35.916
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -28.056
tors. eta vs tors. theta energy: 11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -201.499352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.499352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.499352 (E_RNA)
where:
Base-Base interactions energy: -79.369
where: short stacking energy: -63.225
Base-Backbone interact. energy: 0.767
local terms energy: -122.897101
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: 1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -921.662619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.662619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.662619 (E_RNA)
where:
Base-Base interactions energy: -655.868
where: short stacking energy: -270.625
Base-Backbone interact. energy: -0.694
local terms energy: -265.100349
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -54.321
flat angles P-C4'-P energy: -35.058
tors. eta vs tors. theta energy: -82.494
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: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -892.444119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.444119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.444119 (E_RNA)
where:
Base-Base interactions energy: -622.408
where: short stacking energy: -268.755
Base-Backbone interact. energy: -1.076
local terms energy: -268.960522
where:
bonds (distance) C4'-P energy: -51.658
bonds (distance) P-C4' energy: -41.863
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -39.119
tors. eta vs tors. theta energy: -84.527
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: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -899.307450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.307450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.307450 (E_RNA)
where:
Base-Base interactions energy: -643.865
where: short stacking energy: -267.896
Base-Backbone interact. energy: -1.821
local terms energy: -253.621050
where:
bonds (distance) C4'-P energy: -37.941
bonds (distance) P-C4' energy: -37.672
flat angles C4'-P-C4' energy: -51.508
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -85.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -799.592124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.592124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.592124 (E_RNA)
where:
Base-Base interactions energy: -563.100
where: short stacking energy: -243.341
Base-Backbone interact. energy: -0.017
local terms energy: -236.475409
where:
bonds (distance) C4'-P energy: -42.451
bonds (distance) P-C4' energy: -42.034
flat angles C4'-P-C4' energy: -46.235
flat angles P-C4'-P energy: -26.836
tors. eta vs tors. theta energy: -78.919
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: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -758.380849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.380849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.380849 (E_RNA)
where:
Base-Base interactions energy: -529.222
where: short stacking energy: -222.050
Base-Backbone interact. energy: 0.805
local terms energy: -229.963268
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -70.196
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: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -730.819849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.819849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.819849 (E_RNA)
where:
Base-Base interactions energy: -510.180
where: short stacking energy: -206.830
Base-Backbone interact. energy: -0.629
local terms energy: -220.010864
where:
bonds (distance) C4'-P energy: -42.282
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -36.355
tors. eta vs tors. theta energy: -62.495
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: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -684.021194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.021194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.021194 (E_RNA)
where:
Base-Base interactions energy: -476.529
where: short stacking energy: -215.789
Base-Backbone interact. energy: 0.524
local terms energy: -208.016385
where:
bonds (distance) C4'-P energy: -41.449
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -45.861
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -56.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -494.144697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.144697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.144697 (E_RNA)
where:
Base-Base interactions energy: -302.624
where: short stacking energy: -139.625
Base-Backbone interact. energy: 0.125
local terms energy: -191.645379
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -24.791
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: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -222.089521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.089521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.089521 (E_RNA)
where:
Base-Base interactions energy: -93.145
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.617
local terms energy: -128.327891
where:
bonds (distance) C4'-P energy: -31.258
bonds (distance) P-C4' energy: -40.774
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -15.920
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: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -224.326644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.326644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.326644 (E_RNA)
where:
Base-Base interactions energy: -88.162
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.830
local terms energy: -135.335092
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -901.162358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.162358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.162358 (E_RNA)
where:
Base-Base interactions energy: -640.076
where: short stacking energy: -263.379
Base-Backbone interact. energy: -0.525
local terms energy: -260.561863
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -55.128
flat angles P-C4'-P energy: -37.018
tors. eta vs tors. theta energy: -77.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -894.413350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.413350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.413350 (E_RNA)
where:
Base-Base interactions energy: -625.121
where: short stacking energy: -266.846
Base-Backbone interact. energy: -0.104
local terms energy: -269.188183
where:
bonds (distance) C4'-P energy: -48.028
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -52.610
flat angles P-C4'-P energy: -39.383
tors. eta vs tors. theta energy: -84.526
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -878.011003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.011003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.011003 (E_RNA)
where:
Base-Base interactions energy: -618.752
where: short stacking energy: -258.594
Base-Backbone interact. energy: -0.835
local terms energy: -258.424442
where:
bonds (distance) C4'-P energy: -41.653
bonds (distance) P-C4' energy: -46.754
flat angles C4'-P-C4' energy: -57.248
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -73.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -800.598731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.598731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.598731 (E_RNA)
where:
Base-Base interactions energy: -560.139
where: short stacking energy: -248.282
Base-Backbone interact. energy: -0.740
local terms energy: -239.719493
where:
bonds (distance) C4'-P energy: -54.422
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -45.148
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -74.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -737.366889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.366889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.366889 (E_RNA)
where:
Base-Base interactions energy: -532.973
where: short stacking energy: -213.313
Base-Backbone interact. energy: -0.628
local terms energy: -203.765558
where:
bonds (distance) C4'-P energy: -36.094
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -62.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -734.722827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.722827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.722827 (E_RNA)
where:
Base-Base interactions energy: -508.498
where: short stacking energy: -215.673
Base-Backbone interact. energy: -0.060
local terms energy: -226.164700
where:
bonds (distance) C4'-P energy: -42.954
bonds (distance) P-C4' energy: -37.339
flat angles C4'-P-C4' energy: -47.659
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -65.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -638.329128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.329128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.329128 (E_RNA)
where:
Base-Base interactions energy: -424.710
where: short stacking energy: -177.354
Base-Backbone interact. energy: 0.041
local terms energy: -213.660430
where:
bonds (distance) C4'-P energy: -47.952
bonds (distance) P-C4' energy: -38.360
flat angles C4'-P-C4' energy: -44.670
flat angles P-C4'-P energy: -33.303
tors. eta vs tors. theta energy: -49.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -465.529428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.529428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.529428 (E_RNA)
where:
Base-Base interactions energy: -307.277
where: short stacking energy: -138.990
Base-Backbone interact. energy: 0.865
local terms energy: -159.117916
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -41.822
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -27.029
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: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -213.192195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.192195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.192195 (E_RNA)
where:
Base-Base interactions energy: -82.686
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.813
local terms energy: -129.693306
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -31.841
flat angles C4'-P-C4' energy: -47.050
flat angles P-C4'-P energy: -20.231
tors. eta vs tors. theta energy: 5.136
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: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -204.738099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.738099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.738099 (E_RNA)
where:
Base-Base interactions energy: -83.691
where: short stacking energy: -60.786
Base-Backbone interact. energy: 0.757
local terms energy: -121.803980
where:
bonds (distance) C4'-P energy: -39.054
bonds (distance) P-C4' energy: -33.278
flat angles C4'-P-C4' energy: -28.035
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -915.318539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.318539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.318539 (E_RNA)
where:
Base-Base interactions energy: -647.321
where: short stacking energy: -279.093
Base-Backbone interact. energy: -1.179
local terms energy: -266.818128
where:
bonds (distance) C4'-P energy: -48.897
bonds (distance) P-C4' energy: -46.705
flat angles C4'-P-C4' energy: -52.571
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -83.146
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: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -908.475597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.475597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.475597 (E_RNA)
where:
Base-Base interactions energy: -632.868
where: short stacking energy: -261.584
Base-Backbone interact. energy: -0.266
local terms energy: -275.341590
where:
bonds (distance) C4'-P energy: -46.906
bonds (distance) P-C4' energy: -49.368
flat angles C4'-P-C4' energy: -54.969
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: -83.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -898.488925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.488925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.488925 (E_RNA)
where:
Base-Base interactions energy: -637.985
where: short stacking energy: -260.951
Base-Backbone interact. energy: -0.839
local terms energy: -259.664722
where:
bonds (distance) C4'-P energy: -43.159
bonds (distance) P-C4' energy: -47.952
flat angles C4'-P-C4' energy: -54.972
flat angles P-C4'-P energy: -34.258
tors. eta vs tors. theta energy: -79.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -782.956485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.956485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.956485 (E_RNA)
where:
Base-Base interactions energy: -539.415
where: short stacking energy: -228.396
Base-Backbone interact. energy: -0.940
local terms energy: -242.601944
where:
bonds (distance) C4'-P energy: -43.100
bonds (distance) P-C4' energy: -38.077
flat angles C4'-P-C4' energy: -49.536
flat angles P-C4'-P energy: -35.061
tors. eta vs tors. theta energy: -76.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -762.303216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.303216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.303216 (E_RNA)
where:
Base-Base interactions energy: -520.877
where: short stacking energy: -218.217
Base-Backbone interact. energy: 0.176
local terms energy: -241.602692
where:
bonds (distance) C4'-P energy: -39.139
bonds (distance) P-C4' energy: -46.644
flat angles C4'-P-C4' energy: -48.193
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -69.994
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: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -740.187998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.187998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.187998 (E_RNA)
where:
Base-Base interactions energy: -522.765
where: short stacking energy: -216.768
Base-Backbone interact. energy: 1.608
local terms energy: -219.030481
where:
bonds (distance) C4'-P energy: -39.515
bonds (distance) P-C4' energy: -34.899
flat angles C4'-P-C4' energy: -46.611
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -63.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -655.443308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.443308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.443308 (E_RNA)
where:
Base-Base interactions energy: -441.245
where: short stacking energy: -187.856
Base-Backbone interact. energy: -1.310
local terms energy: -212.888798
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -40.479
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -56.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -470.593115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.593115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.593115 (E_RNA)
where:
Base-Base interactions energy: -298.864
where: short stacking energy: -143.649
Base-Backbone interact. energy: -0.276
local terms energy: -171.452988
where:
bonds (distance) C4'-P energy: -31.916
bonds (distance) P-C4' energy: -39.576
flat angles C4'-P-C4' energy: -42.633
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -32.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -223.565897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.565897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.565897 (E_RNA)
where:
Base-Base interactions energy: -89.991
where: short stacking energy: -82.534
Base-Backbone interact. energy: -0.340
local terms energy: -133.234882
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -192.866247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.866247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.866247 (E_RNA)
where:
Base-Base interactions energy: -68.771
where: short stacking energy: -52.393
Base-Backbone interact. energy: -0.869
local terms energy: -123.226169
where:
bonds (distance) C4'-P energy: -48.839
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: 12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -901.024824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.024824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.024824 (E_RNA)
where:
Base-Base interactions energy: -641.083
where: short stacking energy: -279.368
Base-Backbone interact. energy: -0.335
local terms energy: -259.607110
where:
bonds (distance) C4'-P energy: -37.756
bonds (distance) P-C4' energy: -50.666
flat angles C4'-P-C4' energy: -51.296
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -84.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -903.761313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.761313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.761313 (E_RNA)
where:
Base-Base interactions energy: -626.406
where: short stacking energy: -265.733
Base-Backbone interact. energy: -0.390
local terms energy: -276.965220
where:
bonds (distance) C4'-P energy: -43.551
bonds (distance) P-C4' energy: -50.573
flat angles C4'-P-C4' energy: -56.389
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -81.453
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: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -883.371025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.371025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.371025 (E_RNA)
where:
Base-Base interactions energy: -629.008
where: short stacking energy: -256.366
Base-Backbone interact. energy: 0.122
local terms energy: -254.484762
where:
bonds (distance) C4'-P energy: -43.080
bonds (distance) P-C4' energy: -42.439
flat angles C4'-P-C4' energy: -55.145
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -80.343
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: 307
Temperature: 1.050000
Total energy: -784.020751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.020751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.020751 (E_RNA)
where:
Base-Base interactions energy: -546.393
where: short stacking energy: -226.133
Base-Backbone interact. energy: 0.199
local terms energy: -237.826720
where:
bonds (distance) C4'-P energy: -38.756
bonds (distance) P-C4' energy: -43.656
flat angles C4'-P-C4' energy: -43.864
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -74.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -763.098383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.098383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.098383 (E_RNA)
where:
Base-Base interactions energy: -528.454
where: short stacking energy: -228.312
Base-Backbone interact. energy: -0.785
local terms energy: -233.859995
where:
bonds (distance) C4'-P energy: -36.631
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -54.418
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -67.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -750.144041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.144041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.144041 (E_RNA)
where:
Base-Base interactions energy: -523.223
where: short stacking energy: -223.366
Base-Backbone interact. energy: -0.024
local terms energy: -226.897179
where:
bonds (distance) C4'-P energy: -31.350
bonds (distance) P-C4' energy: -50.560
flat angles C4'-P-C4' energy: -47.151
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -71.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -660.054210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.054210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.054210 (E_RNA)
where:
Base-Base interactions energy: -429.807
where: short stacking energy: -189.587
Base-Backbone interact. energy: -0.084
local terms energy: -230.163824
where:
bonds (distance) C4'-P energy: -40.542
bonds (distance) P-C4' energy: -47.473
flat angles C4'-P-C4' energy: -49.807
flat angles P-C4'-P energy: -37.093
tors. eta vs tors. theta energy: -55.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -491.060348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.060348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.060348 (E_RNA)
where:
Base-Base interactions energy: -314.639
where: short stacking energy: -153.298
Base-Backbone interact. energy: -0.538
local terms energy: -175.883152
where:
bonds (distance) C4'-P energy: -39.021
bonds (distance) P-C4' energy: -38.814
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -38.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -260.528806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.528806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.528806 (E_RNA)
where:
Base-Base interactions energy: -115.176
where: short stacking energy: -67.444
Base-Backbone interact. energy: -1.323
local terms energy: -144.029725
where:
bonds (distance) C4'-P energy: -38.750
bonds (distance) P-C4' energy: -41.654
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -25.209
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -262.098956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.098956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.098956 (E_RNA)
where:
Base-Base interactions energy: -121.304
where: short stacking energy: -87.532
Base-Backbone interact. energy: -1.309
local terms energy: -139.485597
where:
bonds (distance) C4'-P energy: -34.759
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -45.684
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: 3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -912.136061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.136061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.136061 (E_RNA)
where:
Base-Base interactions energy: -636.297
where: short stacking energy: -275.206
Base-Backbone interact. energy: -0.016
local terms energy: -275.822331
where:
bonds (distance) C4'-P energy: -46.847
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -41.345
tors. eta vs tors. theta energy: -85.589
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: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -892.588681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.588681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.588681 (E_RNA)
where:
Base-Base interactions energy: -626.487
where: short stacking energy: -260.199
Base-Backbone interact. energy: -0.295
local terms energy: -265.807067
where:
bonds (distance) C4'-P energy: -42.981
bonds (distance) P-C4' energy: -41.921
flat angles C4'-P-C4' energy: -57.949
flat angles P-C4'-P energy: -40.087
tors. eta vs tors. theta energy: -82.869
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: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -879.241875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.241875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.241875 (E_RNA)
where:
Base-Base interactions energy: -639.558
where: short stacking energy: -266.075
Base-Backbone interact. energy: -0.488
local terms energy: -239.196323
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -44.966
flat angles P-C4'-P energy: -31.207
tors. eta vs tors. theta energy: -79.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -788.890922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.890922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.890922 (E_RNA)
where:
Base-Base interactions energy: -544.965
where: short stacking energy: -237.183
Base-Backbone interact. energy: -1.842
local terms energy: -242.084163
where:
bonds (distance) C4'-P energy: -37.578
bonds (distance) P-C4' energy: -40.407
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -76.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -747.865747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.865747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.865747 (E_RNA)
where:
Base-Base interactions energy: -522.065
where: short stacking energy: -216.184
Base-Backbone interact. energy: -1.968
local terms energy: -223.831889
where:
bonds (distance) C4'-P energy: -34.264
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -48.210
flat angles P-C4'-P energy: -30.051
tors. eta vs tors. theta energy: -70.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -731.242884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.242884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.242884 (E_RNA)
where:
Base-Base interactions energy: -502.098
where: short stacking energy: -221.688
Base-Backbone interact. energy: 1.431
local terms energy: -230.575500
where:
bonds (distance) C4'-P energy: -47.030
bonds (distance) P-C4' energy: -40.514
flat angles C4'-P-C4' energy: -43.161
flat angles P-C4'-P energy: -34.427
tors. eta vs tors. theta energy: -65.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -655.125381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.125381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.125381 (E_RNA)
where:
Base-Base interactions energy: -441.836
where: short stacking energy: -201.322
Base-Backbone interact. energy: -0.226
local terms energy: -213.064032
where:
bonds (distance) C4'-P energy: -46.457
bonds (distance) P-C4' energy: -43.091
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -35.337
tors. eta vs tors. theta energy: -50.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -502.243655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.243655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.243655 (E_RNA)
where:
Base-Base interactions energy: -326.347
where: short stacking energy: -140.379
Base-Backbone interact. energy: -0.273
local terms energy: -175.623345
where:
bonds (distance) C4'-P energy: -42.115
bonds (distance) P-C4' energy: -27.887
flat angles C4'-P-C4' energy: -41.976
flat angles P-C4'-P energy: -33.781
tors. eta vs tors. theta energy: -29.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -271.483423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.483423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.483423 (E_RNA)
where:
Base-Base interactions energy: -143.823
where: short stacking energy: -94.733
Base-Backbone interact. energy: 1.461
local terms energy: -129.121662
where:
bonds (distance) C4'-P energy: -33.232
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -35.469
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -204.839564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.839564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.839564 (E_RNA)
where:
Base-Base interactions energy: -74.315
where: short stacking energy: -44.267
Base-Backbone interact. energy: -1.405
local terms energy: -129.119765
where:
bonds (distance) C4'-P energy: -42.495
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -28.227
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: 6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -920.273081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.273081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.273081 (E_RNA)
where:
Base-Base interactions energy: -641.266
where: short stacking energy: -277.575
Base-Backbone interact. energy: -0.004
local terms energy: -279.003143
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -47.699
flat angles C4'-P-C4' energy: -57.192
flat angles P-C4'-P energy: -43.174
tors. eta vs tors. theta energy: -84.135
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: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -900.568088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.568088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.568088 (E_RNA)
where:
Base-Base interactions energy: -628.587
where: short stacking energy: -265.059
Base-Backbone interact. energy: -0.091
local terms energy: -271.889240
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -47.332
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -82.460
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: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -878.462409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.462409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.462409 (E_RNA)
where:
Base-Base interactions energy: -621.382
where: short stacking energy: -266.788
Base-Backbone interact. energy: -2.129
local terms energy: -254.951123
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -45.971
flat angles C4'-P-C4' energy: -56.037
flat angles P-C4'-P energy: -37.566
tors. eta vs tors. theta energy: -82.176
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: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -792.115954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.115954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.115954 (E_RNA)
where:
Base-Base interactions energy: -541.070
where: short stacking energy: -236.178
Base-Backbone interact. energy: -1.065
local terms energy: -249.981440
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -48.190
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -73.494
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: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -730.876890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.876890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.876890 (E_RNA)
where:
Base-Base interactions energy: -509.861
where: short stacking energy: -219.450
Base-Backbone interact. energy: -0.835
local terms energy: -220.181809
where:
bonds (distance) C4'-P energy: -39.401
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -47.520
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -62.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -732.728319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.728319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.728319 (E_RNA)
where:
Base-Base interactions energy: -516.935
where: short stacking energy: -208.010
Base-Backbone interact. energy: 0.491
local terms energy: -216.284529
where:
bonds (distance) C4'-P energy: -44.931
bonds (distance) P-C4' energy: -43.738
flat angles C4'-P-C4' energy: -40.471
flat angles P-C4'-P energy: -25.882
tors. eta vs tors. theta energy: -61.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -674.500416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.500416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.500416 (E_RNA)
where:
Base-Base interactions energy: -459.792
where: short stacking energy: -187.888
Base-Backbone interact. energy: -0.612
local terms energy: -214.096063
where:
bonds (distance) C4'-P energy: -39.784
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -34.948
tors. eta vs tors. theta energy: -58.769
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: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -542.241462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.241462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.241462 (E_RNA)
where:
Base-Base interactions energy: -363.071
where: short stacking energy: -168.341
Base-Backbone interact. energy: -0.912
local terms energy: -178.257748
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -43.676
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -42.430
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: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -280.356654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.356654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.356654 (E_RNA)
where:
Base-Base interactions energy: -117.734
where: short stacking energy: -72.696
Base-Backbone interact. energy: -0.777
local terms energy: -161.845901
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -43.292
flat angles C4'-P-C4' energy: -43.077
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -220.339208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.339208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.339208 (E_RNA)
where:
Base-Base interactions energy: -94.870
where: short stacking energy: -78.785
Base-Backbone interact. energy: -0.689
local terms energy: -124.780278
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -36.994
flat angles C4'-P-C4' energy: -38.480
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -905.955680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.955680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.955680 (E_RNA)
where:
Base-Base interactions energy: -635.594
where: short stacking energy: -266.481
Base-Backbone interact. energy: 0.415
local terms energy: -270.776412
where:
bonds (distance) C4'-P energy: -47.879
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -54.989
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -80.687
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: 9
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -912.952287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.952287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.952287 (E_RNA)
where:
Base-Base interactions energy: -649.996
where: short stacking energy: -282.131
Base-Backbone interact. energy: -0.003
local terms energy: -262.953539
where:
bonds (distance) C4'-P energy: -43.536
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -54.336
flat angles P-C4'-P energy: -36.916
tors. eta vs tors. theta energy: -83.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -897.600119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.600119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.600119 (E_RNA)
where:
Base-Base interactions energy: -640.482
where: short stacking energy: -270.317
Base-Backbone interact. energy: -1.443
local terms energy: -255.675202
where:
bonds (distance) C4'-P energy: -35.943
bonds (distance) P-C4' energy: -43.254
flat angles C4'-P-C4' energy: -55.326
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -83.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -799.160947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.160947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.160947 (E_RNA)
where:
Base-Base interactions energy: -558.893
where: short stacking energy: -235.266
Base-Backbone interact. energy: -1.354
local terms energy: -238.913618
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -54.396
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: -76.944
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: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -749.436535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.436535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.436535 (E_RNA)
where:
Base-Base interactions energy: -523.607
where: short stacking energy: -231.207
Base-Backbone interact. energy: -1.109
local terms energy: -224.720536
where:
bonds (distance) C4'-P energy: -41.765
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -41.901
flat angles P-C4'-P energy: -26.395
tors. eta vs tors. theta energy: -72.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -708.579097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.579097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.579097 (E_RNA)
where:
Base-Base interactions energy: -496.646
where: short stacking energy: -201.958
Base-Backbone interact. energy: 0.742
local terms energy: -212.675019
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -49.690
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -63.101
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -675.783742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.783742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.783742 (E_RNA)
where:
Base-Base interactions energy: -453.683
where: short stacking energy: -191.152
Base-Backbone interact. energy: -1.103
local terms energy: -220.998152
where:
bonds (distance) C4'-P energy: -31.968
bonds (distance) P-C4' energy: -49.591
flat angles C4'-P-C4' energy: -51.348
flat angles P-C4'-P energy: -29.069
tors. eta vs tors. theta energy: -59.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -525.581052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.581052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.581052 (E_RNA)
where:
Base-Base interactions energy: -334.388
where: short stacking energy: -146.027
Base-Backbone interact. energy: 0.349
local terms energy: -191.541434
where:
bonds (distance) C4'-P energy: -33.388
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -47.629
flat angles P-C4'-P energy: -21.950
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: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -288.039864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.039864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.039864 (E_RNA)
where:
Base-Base interactions energy: -149.620
where: short stacking energy: -78.546
Base-Backbone interact. energy: 0.429
local terms energy: -138.848365
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -46.670
flat angles C4'-P-C4' energy: -37.032
flat angles P-C4'-P energy: -26.279
tors. eta vs tors. theta energy: 5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -229.097384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.097384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.097384 (E_RNA)
where:
Base-Base interactions energy: -101.155
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.013
local terms energy: -127.929829
where:
bonds (distance) C4'-P energy: -37.259
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: 2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -899.089664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.089664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.089664 (E_RNA)
where:
Base-Base interactions energy: -633.124
where: short stacking energy: -265.252
Base-Backbone interact. energy: 0.139
local terms energy: -266.104670
where:
bonds (distance) C4'-P energy: -41.950
bonds (distance) P-C4' energy: -41.968
flat angles C4'-P-C4' energy: -54.461
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -84.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -905.348119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.348119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.348119 (E_RNA)
where:
Base-Base interactions energy: -640.983
where: short stacking energy: -272.717
Base-Backbone interact. energy: 0.462
local terms energy: -264.827208
where:
bonds (distance) C4'-P energy: -42.066
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -52.821
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -85.098
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: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -872.678183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.678183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.678183 (E_RNA)
where:
Base-Base interactions energy: -616.564
where: short stacking energy: -260.842
Base-Backbone interact. energy: -0.137
local terms energy: -255.976646
where:
bonds (distance) C4'-P energy: -39.809
bonds (distance) P-C4' energy: -44.745
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: -85.024
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: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -788.777414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.777414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.777414 (E_RNA)
where:
Base-Base interactions energy: -531.389
where: short stacking energy: -231.005
Base-Backbone interact. energy: -1.996
local terms energy: -255.392529
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -47.204
flat angles C4'-P-C4' energy: -45.570
flat angles P-C4'-P energy: -37.060
tors. eta vs tors. theta energy: -76.363
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: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -755.200332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.200332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.200332 (E_RNA)
where:
Base-Base interactions energy: -532.533
where: short stacking energy: -231.511
Base-Backbone interact. energy: -0.608
local terms energy: -222.059162
where:
bonds (distance) C4'-P energy: -43.834
bonds (distance) P-C4' energy: -36.032
flat angles C4'-P-C4' energy: -52.754
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -64.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -688.427539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.427539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.427539 (E_RNA)
where:
Base-Base interactions energy: -463.459
where: short stacking energy: -198.617
Base-Backbone interact. energy: -0.673
local terms energy: -224.295206
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -46.426
flat angles C4'-P-C4' energy: -48.971
flat angles P-C4'-P energy: -27.171
tors. eta vs tors. theta energy: -57.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -667.159370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.159370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.159370 (E_RNA)
where:
Base-Base interactions energy: -470.390
where: short stacking energy: -200.880
Base-Backbone interact. energy: 2.291
local terms energy: -199.060984
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -44.433
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -55.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -517.132775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.132775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.132775 (E_RNA)
where:
Base-Base interactions energy: -346.725
where: short stacking energy: -144.186
Base-Backbone interact. energy: -0.235
local terms energy: -170.173026
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -33.997
flat angles C4'-P-C4' energy: -41.344
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -32.072
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: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -262.568120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.568120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.568120 (E_RNA)
where:
Base-Base interactions energy: -144.335
where: short stacking energy: -85.899
Base-Backbone interact. energy: -3.839
local terms energy: -114.393328
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -42.171
flat angles C4'-P-C4' energy: -27.215
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -4.653
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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -196.478302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.478302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.478302 (E_RNA)
where:
Base-Base interactions energy: -59.306
where: short stacking energy: -51.949
Base-Backbone interact. energy: -1.226
local terms energy: -135.946241
where:
bonds (distance) C4'-P energy: -43.983
bonds (distance) P-C4' energy: -40.035
flat angles C4'-P-C4' energy: -34.347
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -917.122153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.122153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.122153 (E_RNA)
where:
Base-Base interactions energy: -650.878
where: short stacking energy: -273.225
Base-Backbone interact. energy: -1.028
local terms energy: -265.216171
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -45.985
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -35.251
tors. eta vs tors. theta energy: -83.460
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: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -910.142961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.142961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.142961 (E_RNA)
where:
Base-Base interactions energy: -641.620
where: short stacking energy: -275.666
Base-Backbone interact. energy: -0.131
local terms energy: -268.391977
where:
bonds (distance) C4'-P energy: -41.773
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -53.744
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -83.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -887.842538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.842538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.842538 (E_RNA)
where:
Base-Base interactions energy: -619.649
where: short stacking energy: -263.570
Base-Backbone interact. energy: -0.054
local terms energy: -268.138956
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -55.415
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -82.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -802.445808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.445808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.445808 (E_RNA)
where:
Base-Base interactions energy: -566.448
where: short stacking energy: -243.556
Base-Backbone interact. energy: -2.863
local terms energy: -233.134731
where:
bonds (distance) C4'-P energy: -31.566
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -36.212
tors. eta vs tors. theta energy: -79.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -762.313348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.313348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.313348 (E_RNA)
where:
Base-Base interactions energy: -538.419
where: short stacking energy: -232.959
Base-Backbone interact. energy: -0.962
local terms energy: -222.932683
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -30.619
tors. eta vs tors. theta energy: -71.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -695.078559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.078559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.078559 (E_RNA)
where:
Base-Base interactions energy: -481.159
where: short stacking energy: -210.063
Base-Backbone interact. energy: 0.727
local terms energy: -214.646468
where:
bonds (distance) C4'-P energy: -37.014
bonds (distance) P-C4' energy: -40.180
flat angles C4'-P-C4' energy: -47.340
flat angles P-C4'-P energy: -30.088
tors. eta vs tors. theta energy: -60.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -670.591141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.591141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.591141 (E_RNA)
where:
Base-Base interactions energy: -451.596
where: short stacking energy: -191.883
Base-Backbone interact. energy: -0.870
local terms energy: -218.125050
where:
bonds (distance) C4'-P energy: -39.162
bonds (distance) P-C4' energy: -36.236
flat angles C4'-P-C4' energy: -46.524
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -55.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -545.169749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.169749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.169749 (E_RNA)
where:
Base-Base interactions energy: -383.654
where: short stacking energy: -143.407
Base-Backbone interact. energy: -0.218
local terms energy: -161.298282
where:
bonds (distance) C4'-P energy: -42.264
bonds (distance) P-C4' energy: -34.429
flat angles C4'-P-C4' energy: -26.612
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -30.978
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: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -264.908930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.908930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.908930 (E_RNA)
where:
Base-Base interactions energy: -132.642
where: short stacking energy: -76.117
Base-Backbone interact. energy: -0.636
local terms energy: -131.630695
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -40.177
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -217.314833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.314833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.314833 (E_RNA)
where:
Base-Base interactions energy: -71.416
where: short stacking energy: -61.548
Base-Backbone interact. energy: -1.367
local terms energy: -144.532683
where:
bonds (distance) C4'-P energy: -34.165
bonds (distance) P-C4' energy: -43.012
flat angles C4'-P-C4' energy: -45.192
flat angles P-C4'-P energy: -25.890
tors. eta vs tors. theta energy: 3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -915.183457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.183457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.183457 (E_RNA)
where:
Base-Base interactions energy: -647.747
where: short stacking energy: -276.638
Base-Backbone interact. energy: -0.171
local terms energy: -267.265451
where:
bonds (distance) C4'-P energy: -46.481
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -52.913
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: -81.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -890.157075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.157075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.157075 (E_RNA)
where:
Base-Base interactions energy: -626.520
where: short stacking energy: -269.151
Base-Backbone interact. energy: -0.005
local terms energy: -263.631737
where:
bonds (distance) C4'-P energy: -44.471
bonds (distance) P-C4' energy: -45.011
flat angles C4'-P-C4' energy: -52.611
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -83.119
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: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -893.824541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.824541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.824541 (E_RNA)
where:
Base-Base interactions energy: -630.518
where: short stacking energy: -273.593
Base-Backbone interact. energy: -0.074
local terms energy: -263.232421
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -49.343
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -77.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -788.791392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.791392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.791392 (E_RNA)
where:
Base-Base interactions energy: -557.830
where: short stacking energy: -241.772
Base-Backbone interact. energy: -1.692
local terms energy: -229.269699
where:
bonds (distance) C4'-P energy: -45.998
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -38.432
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: -73.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -745.458977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.458977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.458977 (E_RNA)
where:
Base-Base interactions energy: -533.988
where: short stacking energy: -233.724
Base-Backbone interact. energy: -0.848
local terms energy: -210.622765
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -45.652
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -66.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -705.171935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.171935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.171935 (E_RNA)
where:
Base-Base interactions energy: -474.286
where: short stacking energy: -204.657
Base-Backbone interact. energy: 3.156
local terms energy: -234.042058
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -48.019
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -62.522
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: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -636.722286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.722286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.722286 (E_RNA)
where:
Base-Base interactions energy: -446.100
where: short stacking energy: -180.681
Base-Backbone interact. energy: -0.989
local terms energy: -189.633526
where:
bonds (distance) C4'-P energy: -40.202
bonds (distance) P-C4' energy: -33.300
flat angles C4'-P-C4' energy: -36.341
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: -46.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -510.231186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.231186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.231186 (E_RNA)
where:
Base-Base interactions energy: -334.419
where: short stacking energy: -146.879
Base-Backbone interact. energy: -0.261
local terms energy: -175.550969
where:
bonds (distance) C4'-P energy: -44.066
bonds (distance) P-C4' energy: -37.197
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: -36.039
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: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -215.863572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.863572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.863572 (E_RNA)
where:
Base-Base interactions energy: -77.020
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.897
local terms energy: -137.946213
where:
bonds (distance) C4'-P energy: -33.952
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -11.702
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: 313
Temperature: 1.350000
Total energy: -195.820997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.820997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.820997 (E_RNA)
where:
Base-Base interactions energy: -65.492
where: short stacking energy: -56.868
Base-Backbone interact. energy: 1.884
local terms energy: -132.212233
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -46.347
flat angles C4'-P-C4' energy: -25.743
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -900.569793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.569793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.569793 (E_RNA)
where:
Base-Base interactions energy: -634.823
where: short stacking energy: -269.388
Base-Backbone interact. energy: -0.045
local terms energy: -265.702190
where:
bonds (distance) C4'-P energy: -43.695
bonds (distance) P-C4' energy: -46.123
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -83.243
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: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -883.241376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.241376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.241376 (E_RNA)
where:
Base-Base interactions energy: -631.549
where: short stacking energy: -258.225
Base-Backbone interact. energy: -0.173
local terms energy: -251.519131
where:
bonds (distance) C4'-P energy: -38.567
bonds (distance) P-C4' energy: -48.610
flat angles C4'-P-C4' energy: -46.976
flat angles P-C4'-P energy: -41.230
tors. eta vs tors. theta energy: -76.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -894.630752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.630752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.630752 (E_RNA)
where:
Base-Base interactions energy: -627.978
where: short stacking energy: -265.463
Base-Backbone interact. energy: -0.073
local terms energy: -266.579544
where:
bonds (distance) C4'-P energy: -40.279
bonds (distance) P-C4' energy: -45.730
flat angles C4'-P-C4' energy: -59.224
flat angles P-C4'-P energy: -42.395
tors. eta vs tors. theta energy: -78.951
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: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -776.835235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.835235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.835235 (E_RNA)
where:
Base-Base interactions energy: -546.966
where: short stacking energy: -235.456
Base-Backbone interact. energy: -2.602
local terms energy: -227.267210
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -40.251
flat angles C4'-P-C4' energy: -51.210
flat angles P-C4'-P energy: -23.740
tors. eta vs tors. theta energy: -76.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -748.633017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.633017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.633017 (E_RNA)
where:
Base-Base interactions energy: -515.131
where: short stacking energy: -210.907
Base-Backbone interact. energy: 1.031
local terms energy: -234.532371
where:
bonds (distance) C4'-P energy: -42.585
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -47.488
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -62.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -677.814517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.814517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.814517 (E_RNA)
where:
Base-Base interactions energy: -458.318
where: short stacking energy: -202.639
Base-Backbone interact. energy: -0.766
local terms energy: -218.729886
where:
bonds (distance) C4'-P energy: -41.450
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -57.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -625.531501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.531501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.531501 (E_RNA)
where:
Base-Base interactions energy: -420.986
where: short stacking energy: -178.511
Base-Backbone interact. energy: -0.344
local terms energy: -204.202273
where:
bonds (distance) C4'-P energy: -36.851
bonds (distance) P-C4' energy: -40.909
flat angles C4'-P-C4' energy: -47.823
flat angles P-C4'-P energy: -31.471
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -452.830086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.830086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.830086 (E_RNA)
where:
Base-Base interactions energy: -278.897
where: short stacking energy: -130.398
Base-Backbone interact. energy: -0.726
local terms energy: -173.207681
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -34.387
flat angles P-C4'-P energy: -27.498
tors. eta vs tors. theta energy: -31.519
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: 314
Temperature: 1.300000
Total energy: -200.905997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.905997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.905997 (E_RNA)
where:
Base-Base interactions energy: -75.756
where: short stacking energy: -63.721
Base-Backbone interact. energy: -2.513
local terms energy: -122.637717
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -34.227
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -23.649
tors. eta vs tors. theta energy: 0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -203.402912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.402912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.402912 (E_RNA)
where:
Base-Base interactions energy: -74.303
where: short stacking energy: -70.622
Base-Backbone interact. energy: -1.117
local terms energy: -127.983008
where:
bonds (distance) C4'-P energy: -30.094
bonds (distance) P-C4' energy: -45.657
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -8.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -904.711515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.711515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.711515 (E_RNA)
where:
Base-Base interactions energy: -632.997
where: short stacking energy: -265.808
Base-Backbone interact. energy: -0.426
local terms energy: -271.287727
where:
bonds (distance) C4'-P energy: -44.426
bonds (distance) P-C4' energy: -47.634
flat angles C4'-P-C4' energy: -57.323
flat angles P-C4'-P energy: -35.988
tors. eta vs tors. theta energy: -85.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -907.304614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.304614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.304614 (E_RNA)
where:
Base-Base interactions energy: -629.358
where: short stacking energy: -270.233
Base-Backbone interact. energy: -0.351
local terms energy: -277.595385
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -49.246
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -80.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -872.607848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.607848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.607848 (E_RNA)
where:
Base-Base interactions energy: -616.470
where: short stacking energy: -269.239
Base-Backbone interact. energy: -0.068
local terms energy: -256.070400
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -45.426
flat angles C4'-P-C4' energy: -49.374
flat angles P-C4'-P energy: -38.506
tors. eta vs tors. theta energy: -78.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -775.683448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.683448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.683448 (E_RNA)
where:
Base-Base interactions energy: -531.153
where: short stacking energy: -217.006
Base-Backbone interact. energy: -2.157
local terms energy: -242.373315
where:
bonds (distance) C4'-P energy: -46.876
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -65.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -758.827569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.827569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.827569 (E_RNA)
where:
Base-Base interactions energy: -527.736
where: short stacking energy: -228.394
Base-Backbone interact. energy: -1.321
local terms energy: -229.771026
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -43.288
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -65.504
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: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -608.799760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.799760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.799760 (E_RNA)
where:
Base-Base interactions energy: -403.801
where: short stacking energy: -171.044
Base-Backbone interact. energy: -0.521
local terms energy: -204.477853
where:
bonds (distance) C4'-P energy: -49.778
bonds (distance) P-C4' energy: -42.599
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -43.284
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: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -663.143448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.143448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.143448 (E_RNA)
where:
Base-Base interactions energy: -463.502
where: short stacking energy: -193.976
Base-Backbone interact. energy: -0.148
local terms energy: -199.493403
where:
bonds (distance) C4'-P energy: -41.118
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -49.732
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -56.236
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: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -460.200695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.200695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.200695 (E_RNA)
where:
Base-Base interactions energy: -286.049
where: short stacking energy: -156.071
Base-Backbone interact. energy: -1.761
local terms energy: -172.390026
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -43.043
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -30.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -209.223521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.223521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.223521 (E_RNA)
where:
Base-Base interactions energy: -77.025
where: short stacking energy: -65.513
Base-Backbone interact. energy: -0.899
local terms energy: -131.299572
where:
bonds (distance) C4'-P energy: -41.018
bonds (distance) P-C4' energy: -37.724
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -26.643
tors. eta vs tors. theta energy: 6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -206.910536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.910536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.910536 (E_RNA)
where:
Base-Base interactions energy: -79.731
where: short stacking energy: -75.498
Base-Backbone interact. energy: -0.153
local terms energy: -127.026595
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -35.585
flat angles C4'-P-C4' energy: -35.706
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -917.153146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.153146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.153146 (E_RNA)
where:
Base-Base interactions energy: -637.232
where: short stacking energy: -276.581
Base-Backbone interact. energy: -0.415
local terms energy: -279.506211
where:
bonds (distance) C4'-P energy: -52.335
bonds (distance) P-C4' energy: -44.819
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -81.753
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: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -885.917535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.917535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.917535 (E_RNA)
where:
Base-Base interactions energy: -614.194
where: short stacking energy: -256.454
Base-Backbone interact. energy: -0.034
local terms energy: -271.689606
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -43.405
tors. eta vs tors. theta energy: -78.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -875.365953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.365953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.365953 (E_RNA)
where:
Base-Base interactions energy: -616.352
where: short stacking energy: -270.796
Base-Backbone interact. energy: -0.304
local terms energy: -258.709498
where:
bonds (distance) C4'-P energy: -39.606
bonds (distance) P-C4' energy: -38.608
flat angles C4'-P-C4' energy: -57.469
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -78.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -776.335877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.335877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.335877 (E_RNA)
where:
Base-Base interactions energy: -530.740
where: short stacking energy: -229.720
Base-Backbone interact. energy: 3.586
local terms energy: -249.180957
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -49.945
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -73.876
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: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -774.403981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.403981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.403981 (E_RNA)
where:
Base-Base interactions energy: -541.256
where: short stacking energy: -230.837
Base-Backbone interact. energy: -2.986
local terms energy: -230.161625
where:
bonds (distance) C4'-P energy: -47.087
bonds (distance) P-C4' energy: -43.666
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -29.790
tors. eta vs tors. theta energy: -68.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -676.372736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.372736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.372736 (E_RNA)
where:
Base-Base interactions energy: -469.058
where: short stacking energy: -206.815
Base-Backbone interact. energy: 0.134
local terms energy: -207.448319
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -38.283
flat angles C4'-P-C4' energy: -48.848
flat angles P-C4'-P energy: -29.639
tors. eta vs tors. theta energy: -57.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -681.666168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.666168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.666168 (E_RNA)
where:
Base-Base interactions energy: -465.076
where: short stacking energy: -194.463
Base-Backbone interact. energy: -0.686
local terms energy: -215.903902
where:
bonds (distance) C4'-P energy: -34.957
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -32.725
tors. eta vs tors. theta energy: -58.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -472.175532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.175532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.175532 (E_RNA)
where:
Base-Base interactions energy: -291.632
where: short stacking energy: -146.429
Base-Backbone interact. energy: -1.354
local terms energy: -179.189242
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -36.885
flat angles C4'-P-C4' energy: -47.199
flat angles P-C4'-P energy: -38.886
tors. eta vs tors. theta energy: -30.064
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: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -245.713467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.713467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.713467 (E_RNA)
where:
Base-Base interactions energy: -110.842
where: short stacking energy: -76.890
Base-Backbone interact. energy: -0.703
local terms energy: -134.168293
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -31.264
flat angles P-C4'-P energy: -20.960
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -224.888135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.888135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.888135 (E_RNA)
where:
Base-Base interactions energy: -99.405
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.754
local terms energy: -124.729639
where:
bonds (distance) C4'-P energy: -38.647
bonds (distance) P-C4' energy: -37.213
flat angles C4'-P-C4' energy: -27.690
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -906.085986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.085986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.085986 (E_RNA)
where:
Base-Base interactions energy: -649.905
where: short stacking energy: -269.503
Base-Backbone interact. energy: -0.468
local terms energy: -255.713518
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -44.517
flat angles C4'-P-C4' energy: -54.732
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -79.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -892.932014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.932014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.932014 (E_RNA)
where:
Base-Base interactions energy: -624.347
where: short stacking energy: -263.294
Base-Backbone interact. energy: 2.320
local terms energy: -270.905667
where:
bonds (distance) C4'-P energy: -51.063
bonds (distance) P-C4' energy: -49.522
flat angles C4'-P-C4' energy: -54.338
flat angles P-C4'-P energy: -39.564
tors. eta vs tors. theta energy: -76.418
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: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -878.470073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.470073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.470073 (E_RNA)
where:
Base-Base interactions energy: -605.385
where: short stacking energy: -247.176
Base-Backbone interact. energy: -1.372
local terms energy: -271.712820
where:
bonds (distance) C4'-P energy: -40.707
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -44.360
tors. eta vs tors. theta energy: -86.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -760.060055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.060055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.060055 (E_RNA)
where:
Base-Base interactions energy: -513.917
where: short stacking energy: -221.697
Base-Backbone interact. energy: 0.847
local terms energy: -246.989913
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -50.935
flat angles P-C4'-P energy: -35.999
tors. eta vs tors. theta energy: -67.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -766.899586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.899586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.899586 (E_RNA)
where:
Base-Base interactions energy: -523.833
where: short stacking energy: -224.205
Base-Backbone interact. energy: -0.043
local terms energy: -243.023713
where:
bonds (distance) C4'-P energy: -43.451
bonds (distance) P-C4' energy: -46.665
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -70.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -691.897587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.897587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.897587 (E_RNA)
where:
Base-Base interactions energy: -473.290
where: short stacking energy: -208.928
Base-Backbone interact. energy: -0.249
local terms energy: -218.358262
where:
bonds (distance) C4'-P energy: -42.984
bonds (distance) P-C4' energy: -37.729
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -59.223
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: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -611.741539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.741539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.741539 (E_RNA)
where:
Base-Base interactions energy: -421.822
where: short stacking energy: -176.623
Base-Backbone interact. energy: -0.817
local terms energy: -189.102937
where:
bonds (distance) C4'-P energy: -23.775
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -44.071
flat angles P-C4'-P energy: -26.212
tors. eta vs tors. theta energy: -45.209
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: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -458.187049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.187049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.187049 (E_RNA)
where:
Base-Base interactions energy: -293.662
where: short stacking energy: -146.964
Base-Backbone interact. energy: -0.262
local terms energy: -164.263083
where:
bonds (distance) C4'-P energy: -33.026
bonds (distance) P-C4' energy: -38.121
flat angles C4'-P-C4' energy: -43.419
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -28.870
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: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -224.751505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.751505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.751505 (E_RNA)
where:
Base-Base interactions energy: -73.369
where: short stacking energy: -66.621
Base-Backbone interact. energy: 0.242
local terms energy: -151.624406
where:
bonds (distance) C4'-P energy: -37.371
bonds (distance) P-C4' energy: -41.948
flat angles C4'-P-C4' energy: -44.468
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -7.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -213.911167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.911167 (E_RNA)
where:
Base-Base interactions energy: -71.806
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.091
local terms energy: -142.014216
where:
bonds (distance) C4'-P energy: -45.522
bonds (distance) P-C4' energy: -37.592
flat angles C4'-P-C4' energy: -36.260
flat angles P-C4'-P energy: -19.343
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -923.282910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.282910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.282910 (E_RNA)
where:
Base-Base interactions energy: -661.950
where: short stacking energy: -280.852
Base-Backbone interact. energy: -0.310
local terms energy: -261.022557
where:
bonds (distance) C4'-P energy: -40.273
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -38.303
tors. eta vs tors. theta energy: -85.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -887.683291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.683291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.683291 (E_RNA)
where:
Base-Base interactions energy: -632.229
where: short stacking energy: -258.530
Base-Backbone interact. energy: -0.070
local terms energy: -255.385147
where:
bonds (distance) C4'-P energy: -42.378
bonds (distance) P-C4' energy: -42.938
flat angles C4'-P-C4' energy: -48.514
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -80.632
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: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -870.179744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.179744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.179744 (E_RNA)
where:
Base-Base interactions energy: -616.098
where: short stacking energy: -257.332
Base-Backbone interact. energy: -0.717
local terms energy: -253.365280
where:
bonds (distance) C4'-P energy: -42.134
bonds (distance) P-C4' energy: -39.679
flat angles C4'-P-C4' energy: -53.523
flat angles P-C4'-P energy: -37.386
tors. eta vs tors. theta energy: -80.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -758.160946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.160946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.160946 (E_RNA)
where:
Base-Base interactions energy: -539.987
where: short stacking energy: -233.439
Base-Backbone interact. energy: -2.694
local terms energy: -215.479907
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -39.102
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -25.779
tors. eta vs tors. theta energy: -71.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -708.584438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.584438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.584438 (E_RNA)
where:
Base-Base interactions energy: -492.847
where: short stacking energy: -216.467
Base-Backbone interact. energy: -1.689
local terms energy: -214.048428
where:
bonds (distance) C4'-P energy: -37.085
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -45.018
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -59.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -725.760475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.760475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.760475 (E_RNA)
where:
Base-Base interactions energy: -508.418
where: short stacking energy: -208.917
Base-Backbone interact. energy: -0.298
local terms energy: -217.045165
where:
bonds (distance) C4'-P energy: -43.642
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -47.347
flat angles P-C4'-P energy: -31.548
tors. eta vs tors. theta energy: -58.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -630.322824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.322824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.322824 (E_RNA)
where:
Base-Base interactions energy: -428.981
where: short stacking energy: -190.406
Base-Backbone interact. energy: -1.377
local terms energy: -199.964126
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -45.708
flat angles C4'-P-C4' energy: -36.328
flat angles P-C4'-P energy: -26.653
tors. eta vs tors. theta energy: -51.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -429.867077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.867077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.867077 (E_RNA)
where:
Base-Base interactions energy: -278.463
where: short stacking energy: -124.483
Base-Backbone interact. energy: 0.787
local terms energy: -152.190679
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -38.615
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -218.647289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.647289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.647289 (E_RNA)
where:
Base-Base interactions energy: -93.337
where: short stacking energy: -85.327
Base-Backbone interact. energy: -0.827
local terms energy: -124.483254
where:
bonds (distance) C4'-P energy: -26.810
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -6.273
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: 318
Temperature: 1.350000
Total energy: -203.184673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.184673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.184673 (E_RNA)
where:
Base-Base interactions energy: -65.808
where: short stacking energy: -57.754
Base-Backbone interact. energy: 0.764
local terms energy: -138.140435
where:
bonds (distance) C4'-P energy: -38.377
bonds (distance) P-C4' energy: -43.904
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -910.355661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.355661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.355661 (E_RNA)
where:
Base-Base interactions energy: -639.999
where: short stacking energy: -257.850
Base-Backbone interact. energy: -0.316
local terms energy: -270.040607
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -53.841
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -83.873
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: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -898.836855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.836855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.836855 (E_RNA)
where:
Base-Base interactions energy: -632.960
where: short stacking energy: -266.480
Base-Backbone interact. energy: -0.788
local terms energy: -265.088958
where:
bonds (distance) C4'-P energy: -40.789
bonds (distance) P-C4' energy: -44.169
flat angles C4'-P-C4' energy: -53.935
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -82.287
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: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -884.190479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.190479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.190479 (E_RNA)
where:
Base-Base interactions energy: -621.763
where: short stacking energy: -262.705
Base-Backbone interact. energy: -0.396
local terms energy: -262.031476
where:
bonds (distance) C4'-P energy: -45.114
bonds (distance) P-C4' energy: -45.697
flat angles C4'-P-C4' energy: -53.276
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -78.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -764.810322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.810322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.810322 (E_RNA)
where:
Base-Base interactions energy: -519.856
where: short stacking energy: -232.827
Base-Backbone interact. energy: 0.955
local terms energy: -245.909315
where:
bonds (distance) C4'-P energy: -42.645
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -48.489
flat angles P-C4'-P energy: -31.768
tors. eta vs tors. theta energy: -74.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -713.947514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.947514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.947514 (E_RNA)
where:
Base-Base interactions energy: -487.475
where: short stacking energy: -211.147
Base-Backbone interact. energy: -0.798
local terms energy: -225.674839
where:
bonds (distance) C4'-P energy: -37.158
bonds (distance) P-C4' energy: -40.999
flat angles C4'-P-C4' energy: -49.695
flat angles P-C4'-P energy: -37.829
tors. eta vs tors. theta energy: -59.994
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: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -676.233267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.233267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.233267 (E_RNA)
where:
Base-Base interactions energy: -468.624
where: short stacking energy: -211.875
Base-Backbone interact. energy: -0.439
local terms energy: -207.170134
where:
bonds (distance) C4'-P energy: -39.539
bonds (distance) P-C4' energy: -39.636
flat angles C4'-P-C4' energy: -35.944
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -58.116
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: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -720.017423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.017423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.017423 (E_RNA)
where:
Base-Base interactions energy: -492.486
where: short stacking energy: -198.387
Base-Backbone interact. energy: 0.224
local terms energy: -227.756250
where:
bonds (distance) C4'-P energy: -39.769
bonds (distance) P-C4' energy: -41.249
flat angles C4'-P-C4' energy: -53.777
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -67.676
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: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -417.111039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.111039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.111039 (E_RNA)
where:
Base-Base interactions energy: -277.308
where: short stacking energy: -106.530
Base-Backbone interact. energy: 0.663
local terms energy: -140.466940
where:
bonds (distance) C4'-P energy: -29.449
bonds (distance) P-C4' energy: -35.669
flat angles C4'-P-C4' energy: -40.992
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -249.647625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.647625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.647625 (E_RNA)
where:
Base-Base interactions energy: -113.058
where: short stacking energy: -79.585
Base-Backbone interact. energy: 0.690
local terms energy: -137.279709
where:
bonds (distance) C4'-P energy: -34.487
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -220.895808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.895808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.895808 (E_RNA)
where:
Base-Base interactions energy: -85.167
where: short stacking energy: -83.818
Base-Backbone interact. energy: 0.724
local terms energy: -136.452678
where:
bonds (distance) C4'-P energy: -41.806
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -36.596
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: 3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -901.190085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.190085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.190085 (E_RNA)
where:
Base-Base interactions energy: -641.742
where: short stacking energy: -265.092
Base-Backbone interact. energy: 0.193
local terms energy: -259.641002
where:
bonds (distance) C4'-P energy: -44.506
bonds (distance) P-C4' energy: -47.953
flat angles C4'-P-C4' energy: -52.226
flat angles P-C4'-P energy: -35.998
tors. eta vs tors. theta energy: -78.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -895.899967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.899967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.899967 (E_RNA)
where:
Base-Base interactions energy: -625.974
where: short stacking energy: -263.005
Base-Backbone interact. energy: -0.179
local terms energy: -269.747841
where:
bonds (distance) C4'-P energy: -47.665
bonds (distance) P-C4' energy: -41.837
flat angles C4'-P-C4' energy: -59.701
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -80.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -881.201475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.201475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.201475 (E_RNA)
where:
Base-Base interactions energy: -619.469
where: short stacking energy: -257.206
Base-Backbone interact. energy: -1.350
local terms energy: -260.381808
where:
bonds (distance) C4'-P energy: -44.213
bonds (distance) P-C4' energy: -49.009
flat angles C4'-P-C4' energy: -52.922
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -81.392
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: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -754.581290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.581290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.581290 (E_RNA)
where:
Base-Base interactions energy: -519.349
where: short stacking energy: -241.798
Base-Backbone interact. energy: 0.346
local terms energy: -235.578071
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -43.267
flat angles C4'-P-C4' energy: -49.277
flat angles P-C4'-P energy: -32.236
tors. eta vs tors. theta energy: -69.583
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: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -709.215083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.215083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.215083 (E_RNA)
where:
Base-Base interactions energy: -485.100
where: short stacking energy: -208.576
Base-Backbone interact. energy: -1.078
local terms energy: -223.036612
where:
bonds (distance) C4'-P energy: -38.739
bonds (distance) P-C4' energy: -41.655
flat angles C4'-P-C4' energy: -42.133
flat angles P-C4'-P energy: -39.930
tors. eta vs tors. theta energy: -60.579
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: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -708.550693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.550693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.550693 (E_RNA)
where:
Base-Base interactions energy: -492.405
where: short stacking energy: -217.676
Base-Backbone interact. energy: -1.456
local terms energy: -214.690382
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -46.271
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -29.334
tors. eta vs tors. theta energy: -60.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -718.601649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.601649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.601649 (E_RNA)
where:
Base-Base interactions energy: -527.046
where: short stacking energy: -212.214
Base-Backbone interact. energy: -0.274
local terms energy: -191.281753
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -43.102
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: -63.367
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: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -413.533575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.533575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.533575 (E_RNA)
where:
Base-Base interactions energy: -262.324
where: short stacking energy: -113.319
Base-Backbone interact. energy: -1.365
local terms energy: -149.844378
where:
bonds (distance) C4'-P energy: -41.375
bonds (distance) P-C4' energy: -37.822
flat angles C4'-P-C4' energy: -47.276
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -11.859
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: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -216.784582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.784582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.784582 (E_RNA)
where:
Base-Base interactions energy: -80.958
where: short stacking energy: -69.747
Base-Backbone interact. energy: 1.807
local terms energy: -137.633990
where:
bonds (distance) C4'-P energy: -38.690
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -40.503
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -207.880023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.880023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.880023 (E_RNA)
where:
Base-Base interactions energy: -67.348
where: short stacking energy: -50.695
Base-Backbone interact. energy: -1.208
local terms energy: -139.324146
where:
bonds (distance) C4'-P energy: -37.680
bonds (distance) P-C4' energy: -51.267
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -899.937078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.937078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.937078 (E_RNA)
where:
Base-Base interactions energy: -628.950
where: short stacking energy: -265.547
Base-Backbone interact. energy: -0.268
local terms energy: -270.718683
where:
bonds (distance) C4'-P energy: -48.852
bonds (distance) P-C4' energy: -43.701
flat angles C4'-P-C4' energy: -56.160
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -81.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -904.487819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.487819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.487819 (E_RNA)
where:
Base-Base interactions energy: -644.224
where: short stacking energy: -276.871
Base-Backbone interact. energy: -0.325
local terms energy: -259.939161
where:
bonds (distance) C4'-P energy: -47.128
bonds (distance) P-C4' energy: -48.349
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -76.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -885.262171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.262171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.262171 (E_RNA)
where:
Base-Base interactions energy: -634.832
where: short stacking energy: -272.419
Base-Backbone interact. energy: -0.807
local terms energy: -249.623107
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -34.614
tors. eta vs tors. theta energy: -82.171
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: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -752.084994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.084994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.084994 (E_RNA)
where:
Base-Base interactions energy: -506.121
where: short stacking energy: -207.286
Base-Backbone interact. energy: -0.382
local terms energy: -245.581795
where:
bonds (distance) C4'-P energy: -48.496
bonds (distance) P-C4' energy: -49.216
flat angles C4'-P-C4' energy: -48.397
flat angles P-C4'-P energy: -34.873
tors. eta vs tors. theta energy: -64.600
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: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -733.761467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.761467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.761467 (E_RNA)
where:
Base-Base interactions energy: -498.256
where: short stacking energy: -229.414
Base-Backbone interact. energy: -0.367
local terms energy: -235.138439
where:
bonds (distance) C4'-P energy: -43.165
bonds (distance) P-C4' energy: -44.598
flat angles C4'-P-C4' energy: -42.401
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: -68.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -681.893533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.893533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.893533 (E_RNA)
where:
Base-Base interactions energy: -475.885
where: short stacking energy: -201.729
Base-Backbone interact. energy: -0.760
local terms energy: -205.248878
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -42.055
flat angles P-C4'-P energy: -29.140
tors. eta vs tors. theta energy: -60.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -720.509764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.509764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.509764 (E_RNA)
where:
Base-Base interactions energy: -498.825
where: short stacking energy: -215.359
Base-Backbone interact. energy: 0.245
local terms energy: -221.929665
where:
bonds (distance) C4'-P energy: -38.533
bonds (distance) P-C4' energy: -38.442
flat angles C4'-P-C4' energy: -40.668
flat angles P-C4'-P energy: -36.255
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -427.440604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.440604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.440604 (E_RNA)
where:
Base-Base interactions energy: -256.051
where: short stacking energy: -127.636
Base-Backbone interact. energy: -0.651
local terms energy: -170.738753
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -29.686
flat angles C4'-P-C4' energy: -45.490
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -29.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -209.495588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.495588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.495588 (E_RNA)
where:
Base-Base interactions energy: -70.879
where: short stacking energy: -65.652
Base-Backbone interact. energy: -1.062
local terms energy: -137.555201
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -48.643
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -24.175
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: 321
Temperature: 1.350000
Total energy: -209.505356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.505356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.505356 (E_RNA)
where:
Base-Base interactions energy: -67.816
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.234
local terms energy: -141.455524
where:
bonds (distance) C4'-P energy: -36.488
bonds (distance) P-C4' energy: -49.862
flat angles C4'-P-C4' energy: -45.052
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -907.145857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.145857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.145857 (E_RNA)
where:
Base-Base interactions energy: -640.715
where: short stacking energy: -262.375
Base-Backbone interact. energy: 0.010
local terms energy: -266.440862
where:
bonds (distance) C4'-P energy: -49.211
bonds (distance) P-C4' energy: -46.205
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -82.375
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: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -898.756618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.756618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.756618 (E_RNA)
where:
Base-Base interactions energy: -642.126
where: short stacking energy: -255.513
Base-Backbone interact. energy: -0.136
local terms energy: -256.494381
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -49.426
flat angles C4'-P-C4' energy: -50.086
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -77.445
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: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -889.043166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.043166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.043166 (E_RNA)
where:
Base-Base interactions energy: -624.319
where: short stacking energy: -257.509
Base-Backbone interact. energy: -0.173
local terms energy: -264.551178
where:
bonds (distance) C4'-P energy: -49.623
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -52.108
flat angles P-C4'-P energy: -40.722
tors. eta vs tors. theta energy: -82.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -755.826641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.826641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.826641 (E_RNA)
where:
Base-Base interactions energy: -515.376
where: short stacking energy: -224.487
Base-Backbone interact. energy: -1.267
local terms energy: -239.184225
where:
bonds (distance) C4'-P energy: -37.734
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -41.677
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -69.954
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: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -733.874146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.874146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.874146 (E_RNA)
where:
Base-Base interactions energy: -500.880
where: short stacking energy: -216.231
Base-Backbone interact. energy: -0.966
local terms energy: -232.027603
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -42.220
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -71.298
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: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -711.590471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.590471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.590471 (E_RNA)
where:
Base-Base interactions energy: -516.912
where: short stacking energy: -209.299
Base-Backbone interact. energy: 0.336
local terms energy: -195.014830
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -49.875
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -58.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -686.216636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.216636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.216636 (E_RNA)
where:
Base-Base interactions energy: -478.854
where: short stacking energy: -205.078
Base-Backbone interact. energy: -0.129
local terms energy: -207.234368
where:
bonds (distance) C4'-P energy: -38.753
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -45.354
flat angles P-C4'-P energy: -25.551
tors. eta vs tors. theta energy: -61.675
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: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -440.704459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.704459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.704459 (E_RNA)
where:
Base-Base interactions energy: -269.230
where: short stacking energy: -114.165
Base-Backbone interact. energy: 0.225
local terms energy: -171.699414
where:
bonds (distance) C4'-P energy: -42.482
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -49.038
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -19.152
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: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -233.810305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.810305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.810305 (E_RNA)
where:
Base-Base interactions energy: -90.760
where: short stacking energy: -56.242
Base-Backbone interact. energy: -1.216
local terms energy: -141.834052
where:
bonds (distance) C4'-P energy: -45.208
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -32.068
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: 3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -278.119526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.119526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.119526 (E_RNA)
where:
Base-Base interactions energy: -137.987
where: short stacking energy: -83.047
Base-Backbone interact. energy: -0.974
local terms energy: -139.157884
where:
bonds (distance) C4'-P energy: -33.022
bonds (distance) P-C4' energy: -53.673
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -922.304991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.304991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.304991 (E_RNA)
where:
Base-Base interactions energy: -650.712
where: short stacking energy: -278.930
Base-Backbone interact. energy: -0.052
local terms energy: -271.540902
where:
bonds (distance) C4'-P energy: -50.494
bonds (distance) P-C4' energy: -46.118
flat angles C4'-P-C4' energy: -54.329
flat angles P-C4'-P energy: -37.138
tors. eta vs tors. theta energy: -83.463
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: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -887.756944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.756944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.756944 (E_RNA)
where:
Base-Base interactions energy: -644.101
where: short stacking energy: -273.351
Base-Backbone interact. energy: -0.023
local terms energy: -243.633676
where:
bonds (distance) C4'-P energy: -43.443
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -80.796
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -871.153182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.153182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.153182 (E_RNA)
where:
Base-Base interactions energy: -618.290
where: short stacking energy: -264.950
Base-Backbone interact. energy: -1.014
local terms energy: -251.848743
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -57.689
flat angles P-C4'-P energy: -36.726
tors. eta vs tors. theta energy: -83.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -742.308313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.308313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.308313 (E_RNA)
where:
Base-Base interactions energy: -500.207
where: short stacking energy: -224.961
Base-Backbone interact. energy: -0.015
local terms energy: -242.086005
where:
bonds (distance) C4'-P energy: -40.446
bonds (distance) P-C4' energy: -46.765
flat angles C4'-P-C4' energy: -48.587
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -64.676
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: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -753.601797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.601797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.601797 (E_RNA)
where:
Base-Base interactions energy: -524.061
where: short stacking energy: -229.516
Base-Backbone interact. energy: -0.462
local terms energy: -229.078764
where:
bonds (distance) C4'-P energy: -38.901
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -48.273
flat angles P-C4'-P energy: -33.123
tors. eta vs tors. theta energy: -75.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -743.174925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.174925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.174925 (E_RNA)
where:
Base-Base interactions energy: -505.956
where: short stacking energy: -217.748
Base-Backbone interact. energy: -0.617
local terms energy: -236.601932
where:
bonds (distance) C4'-P energy: -38.505
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -45.981
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -68.908
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: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -665.288934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.288934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.288934 (E_RNA)
where:
Base-Base interactions energy: -449.551
where: short stacking energy: -201.649
Base-Backbone interact. energy: 0.583
local terms energy: -216.320966
where:
bonds (distance) C4'-P energy: -40.264
bonds (distance) P-C4' energy: -37.306
flat angles C4'-P-C4' energy: -46.127
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -58.425
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: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -469.190269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.190269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.190269 (E_RNA)
where:
Base-Base interactions energy: -292.595
where: short stacking energy: -150.507
Base-Backbone interact. energy: -0.342
local terms energy: -176.253407
where:
bonds (distance) C4'-P energy: -38.998
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -48.394
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -33.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -223.712892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.712892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.712892 (E_RNA)
where:
Base-Base interactions energy: -81.902
where: short stacking energy: -61.431
Base-Backbone interact. energy: -1.385
local terms energy: -140.426262
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -48.398
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -253.973664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.973664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.973664 (E_RNA)
where:
Base-Base interactions energy: -113.587
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.939
local terms energy: -139.447307
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -42.656
flat angles P-C4'-P energy: -22.016
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: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -934.630182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.630182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.630182 (E_RNA)
where:
Base-Base interactions energy: -652.218
where: short stacking energy: -280.612
Base-Backbone interact. energy: 0.000
local terms energy: -282.412312
where:
bonds (distance) C4'-P energy: -47.668
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -85.095
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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -892.653644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.653644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.653644 (E_RNA)
where:
Base-Base interactions energy: -636.020
where: short stacking energy: -268.743
Base-Backbone interact. energy: -0.303
local terms energy: -256.331383
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -51.365
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -80.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -884.049223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.049223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.049223 (E_RNA)
where:
Base-Base interactions energy: -617.515
where: short stacking energy: -260.498
Base-Backbone interact. energy: -0.223
local terms energy: -266.310316
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -84.829
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: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -743.510254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.510254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.510254 (E_RNA)
where:
Base-Base interactions energy: -504.393
where: short stacking energy: -228.831
Base-Backbone interact. energy: -0.321
local terms energy: -238.796984
where:
bonds (distance) C4'-P energy: -52.317
bonds (distance) P-C4' energy: -41.112
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -67.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -756.996536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.996536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.996536 (E_RNA)
where:
Base-Base interactions energy: -522.275
where: short stacking energy: -222.648
Base-Backbone interact. energy: -0.224
local terms energy: -234.497360
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -47.039
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -70.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -746.641015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.641015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.641015 (E_RNA)
where:
Base-Base interactions energy: -515.109
where: short stacking energy: -217.632
Base-Backbone interact. energy: -1.345
local terms energy: -230.187217
where:
bonds (distance) C4'-P energy: -35.412
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -51.450
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -72.469
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: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -641.806759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.806759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.806759 (E_RNA)
where:
Base-Base interactions energy: -436.424
where: short stacking energy: -183.038
Base-Backbone interact. energy: -0.514
local terms energy: -204.868955
where:
bonds (distance) C4'-P energy: -40.253
bonds (distance) P-C4' energy: -45.063
flat angles C4'-P-C4' energy: -39.809
flat angles P-C4'-P energy: -29.079
tors. eta vs tors. theta energy: -50.666
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: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -456.147910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.147910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.147910 (E_RNA)
where:
Base-Base interactions energy: -274.001
where: short stacking energy: -130.135
Base-Backbone interact. energy: -0.283
local terms energy: -181.863657
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -39.960
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -27.159
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: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -226.965484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.965484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.965484 (E_RNA)
where:
Base-Base interactions energy: -94.341
where: short stacking energy: -83.139
Base-Backbone interact. energy: -0.338
local terms energy: -132.286119
where:
bonds (distance) C4'-P energy: -39.760
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -249.516801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.516801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.516801 (E_RNA)
where:
Base-Base interactions energy: -106.358
where: short stacking energy: -71.133
Base-Backbone interact. energy: 0.028
local terms energy: -143.186230
where:
bonds (distance) C4'-P energy: -37.743
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -913.170046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.170046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.170046 (E_RNA)
where:
Base-Base interactions energy: -650.638
where: short stacking energy: -273.926
Base-Backbone interact. energy: 0.050
local terms energy: -262.582203
where:
bonds (distance) C4'-P energy: -43.252
bonds (distance) P-C4' energy: -47.027
flat angles C4'-P-C4' energy: -53.651
flat angles P-C4'-P energy: -37.340
tors. eta vs tors. theta energy: -81.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -899.766125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.766125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.766125 (E_RNA)
where:
Base-Base interactions energy: -630.655
where: short stacking energy: -261.558
Base-Backbone interact. energy: -0.086
local terms energy: -269.025635
where:
bonds (distance) C4'-P energy: -44.682
bonds (distance) P-C4' energy: -51.540
flat angles C4'-P-C4' energy: -52.457
flat angles P-C4'-P energy: -38.120
tors. eta vs tors. theta energy: -82.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -888.591173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.591173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.591173 (E_RNA)
where:
Base-Base interactions energy: -630.308
where: short stacking energy: -266.231
Base-Backbone interact. energy: 1.270
local terms energy: -259.552959
where:
bonds (distance) C4'-P energy: -41.537
bonds (distance) P-C4' energy: -38.941
flat angles C4'-P-C4' energy: -54.945
flat angles P-C4'-P energy: -42.068
tors. eta vs tors. theta energy: -82.062
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: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -777.143987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.143987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.143987 (E_RNA)
where:
Base-Base interactions energy: -540.940
where: short stacking energy: -232.497
Base-Backbone interact. energy: -1.019
local terms energy: -235.184509
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -29.995
tors. eta vs tors. theta energy: -66.906
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: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -720.927532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.927532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.927532 (E_RNA)
where:
Base-Base interactions energy: -492.320
where: short stacking energy: -217.813
Base-Backbone interact. energy: -0.860
local terms energy: -227.747949
where:
bonds (distance) C4'-P energy: -41.241
bonds (distance) P-C4' energy: -35.403
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -66.821
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: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -734.489976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.489976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.489976 (E_RNA)
where:
Base-Base interactions energy: -511.993
where: short stacking energy: -218.756
Base-Backbone interact. energy: -0.316
local terms energy: -222.180960
where:
bonds (distance) C4'-P energy: -45.119
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -39.021
flat angles P-C4'-P energy: -31.716
tors. eta vs tors. theta energy: -64.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -719.515182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.515182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.515182 (E_RNA)
where:
Base-Base interactions energy: -511.091
where: short stacking energy: -212.863
Base-Backbone interact. energy: -0.614
local terms energy: -207.809917
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -50.651
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -70.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -442.774451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.774451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.774451 (E_RNA)
where:
Base-Base interactions energy: -262.674
where: short stacking energy: -126.431
Base-Backbone interact. energy: -2.205
local terms energy: -177.895818
where:
bonds (distance) C4'-P energy: -38.865
bonds (distance) P-C4' energy: -44.307
flat angles C4'-P-C4' energy: -41.053
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -30.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -240.861181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.861181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.861181 (E_RNA)
where:
Base-Base interactions energy: -86.545
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.131
local terms energy: -154.185810
where:
bonds (distance) C4'-P energy: -43.933
bonds (distance) P-C4' energy: -44.412
flat angles C4'-P-C4' energy: -39.432
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -11.327
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: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -235.251041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.251041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.251041 (E_RNA)
where:
Base-Base interactions energy: -111.779
where: short stacking energy: -85.927
Base-Backbone interact. energy: 0.069
local terms energy: -123.540490
where:
bonds (distance) C4'-P energy: -33.461
bonds (distance) P-C4' energy: -33.801
flat angles C4'-P-C4' energy: -42.171
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -2.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -923.290940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.290940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.290940 (E_RNA)
where:
Base-Base interactions energy: -648.276
where: short stacking energy: -265.647
Base-Backbone interact. energy: -0.303
local terms energy: -274.711895
where:
bonds (distance) C4'-P energy: -52.534
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -55.686
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -82.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -914.438887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.438887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.438887 (E_RNA)
where:
Base-Base interactions energy: -647.944
where: short stacking energy: -278.682
Base-Backbone interact. energy: -0.002
local terms energy: -266.492191
where:
bonds (distance) C4'-P energy: -43.137
bonds (distance) P-C4' energy: -40.496
flat angles C4'-P-C4' energy: -52.649
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -86.999
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: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -891.699283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.699283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.699283 (E_RNA)
where:
Base-Base interactions energy: -629.756
where: short stacking energy: -273.446
Base-Backbone interact. energy: -0.592
local terms energy: -261.350944
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -46.163
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -81.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -772.344322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.344322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.344322 (E_RNA)
where:
Base-Base interactions energy: -536.154
where: short stacking energy: -230.712
Base-Backbone interact. energy: -0.710
local terms energy: -235.479621
where:
bonds (distance) C4'-P energy: -43.876
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -25.979
tors. eta vs tors. theta energy: -73.380
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: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -754.625908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.625908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.625908 (E_RNA)
where:
Base-Base interactions energy: -527.085
where: short stacking energy: -215.811
Base-Backbone interact. energy: -0.475
local terms energy: -227.065219
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -47.635
flat angles C4'-P-C4' energy: -54.334
flat angles P-C4'-P energy: -28.713
tors. eta vs tors. theta energy: -63.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -691.318207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.318207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.318207 (E_RNA)
where:
Base-Base interactions energy: -493.070
where: short stacking energy: -223.586
Base-Backbone interact. energy: -0.135
local terms energy: -198.113210
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -51.369
flat angles P-C4'-P energy: -28.099
tors. eta vs tors. theta energy: -65.858
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: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -690.682115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.682115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.682115 (E_RNA)
where:
Base-Base interactions energy: -489.376
where: short stacking energy: -211.398
Base-Backbone interact. energy: -0.103
local terms energy: -201.203726
where:
bonds (distance) C4'-P energy: -26.648
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -44.771
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -62.700
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: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -446.679235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.679235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.679235 (E_RNA)
where:
Base-Base interactions energy: -272.842
where: short stacking energy: -130.956
Base-Backbone interact. energy: -0.973
local terms energy: -172.864704
where:
bonds (distance) C4'-P energy: -45.234
bonds (distance) P-C4' energy: -44.536
flat angles C4'-P-C4' energy: -33.969
flat angles P-C4'-P energy: -21.336
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -209.777746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.777746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.777746 (E_RNA)
where:
Base-Base interactions energy: -84.494
where: short stacking energy: -81.651
Base-Backbone interact. energy: -0.341
local terms energy: -124.942742
where:
bonds (distance) C4'-P energy: -35.367
bonds (distance) P-C4' energy: -45.163
flat angles C4'-P-C4' energy: -33.385
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -219.371818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.371818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.371818 (E_RNA)
where:
Base-Base interactions energy: -98.474
where: short stacking energy: -94.051
Base-Backbone interact. energy: 0.902
local terms energy: -121.800077
where:
bonds (distance) C4'-P energy: -38.481
bonds (distance) P-C4' energy: -37.025
flat angles C4'-P-C4' energy: -25.278
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -908.529906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.529906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.529906 (E_RNA)
where:
Base-Base interactions energy: -644.890
where: short stacking energy: -259.256
Base-Backbone interact. energy: -0.616
local terms energy: -263.023204
where:
bonds (distance) C4'-P energy: -42.816
bonds (distance) P-C4' energy: -47.143
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -78.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -908.925061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.925061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.925061 (E_RNA)
where:
Base-Base interactions energy: -643.598
where: short stacking energy: -273.797
Base-Backbone interact. energy: -0.015
local terms energy: -265.312136
where:
bonds (distance) C4'-P energy: -44.396
bonds (distance) P-C4' energy: -48.210
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -83.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -878.076610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.076610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.076610 (E_RNA)
where:
Base-Base interactions energy: -627.782
where: short stacking energy: -267.171
Base-Backbone interact. energy: 0.001
local terms energy: -250.295871
where:
bonds (distance) C4'-P energy: -44.309
bonds (distance) P-C4' energy: -40.416
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -30.955
tors. eta vs tors. theta energy: -85.476
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: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -760.875058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.875058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.875058 (E_RNA)
where:
Base-Base interactions energy: -539.308
where: short stacking energy: -224.231
Base-Backbone interact. energy: -0.179
local terms energy: -221.387961
where:
bonds (distance) C4'-P energy: -43.207
bonds (distance) P-C4' energy: -42.487
flat angles C4'-P-C4' energy: -39.781
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -63.967
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: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -739.324380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.324380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.324380 (E_RNA)
where:
Base-Base interactions energy: -522.559
where: short stacking energy: -220.694
Base-Backbone interact. energy: -0.415
local terms energy: -216.350907
where:
bonds (distance) C4'-P energy: -39.523
bonds (distance) P-C4' energy: -38.453
flat angles C4'-P-C4' energy: -45.817
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: -63.895
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: 327
Temperature: 1.150000
Total energy: -730.181225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.181225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.181225 (E_RNA)
where:
Base-Base interactions energy: -507.449
where: short stacking energy: -218.651
Base-Backbone interact. energy: -0.550
local terms energy: -222.182216
where:
bonds (distance) C4'-P energy: -36.418
bonds (distance) P-C4' energy: -44.356
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -28.415
tors. eta vs tors. theta energy: -66.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -701.443682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.443682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.443682 (E_RNA)
where:
Base-Base interactions energy: -477.332
where: short stacking energy: -193.223
Base-Backbone interact. energy: -0.942
local terms energy: -223.169934
where:
bonds (distance) C4'-P energy: -43.562
bonds (distance) P-C4' energy: -45.104
flat angles C4'-P-C4' energy: -46.646
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -58.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -425.875784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.875784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.875784 (E_RNA)
where:
Base-Base interactions energy: -264.970
where: short stacking energy: -130.918
Base-Backbone interact. energy: -0.937
local terms energy: -159.968652
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -38.096
flat angles C4'-P-C4' energy: -45.780
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -25.756
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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -206.811631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.811631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.811631 (E_RNA)
where:
Base-Base interactions energy: -93.059
where: short stacking energy: -61.495
Base-Backbone interact. energy: 1.677
local terms energy: -115.429230
where:
bonds (distance) C4'-P energy: -37.295
bonds (distance) P-C4' energy: -38.823
flat angles C4'-P-C4' energy: -40.301
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: 11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -241.810714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.810714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.810714 (E_RNA)
where:
Base-Base interactions energy: -116.319
where: short stacking energy: -75.899
Base-Backbone interact. energy: 0.078
local terms energy: -125.569057
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -42.880
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: 3.342
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: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -907.502763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.502763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.502763 (E_RNA)
where:
Base-Base interactions energy: -641.454
where: short stacking energy: -282.454
Base-Backbone interact. energy: -0.116
local terms energy: -265.932730
where:
bonds (distance) C4'-P energy: -38.373
bonds (distance) P-C4' energy: -46.355
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -83.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -898.959402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.959402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.959402 (E_RNA)
where:
Base-Base interactions energy: -625.573
where: short stacking energy: -265.745
Base-Backbone interact. energy: -0.370
local terms energy: -273.016959
where:
bonds (distance) C4'-P energy: -44.657
bonds (distance) P-C4' energy: -47.237
flat angles C4'-P-C4' energy: -55.733
flat angles P-C4'-P energy: -45.246
tors. eta vs tors. theta energy: -80.145
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: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -885.523628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.523628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.523628 (E_RNA)
where:
Base-Base interactions energy: -617.549
where: short stacking energy: -267.727
Base-Backbone interact. energy: -0.549
local terms energy: -267.426484
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -56.365
flat angles P-C4'-P energy: -36.768
tors. eta vs tors. theta energy: -82.866
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: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -778.423769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.423769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.423769 (E_RNA)
where:
Base-Base interactions energy: -540.849
where: short stacking energy: -213.571
Base-Backbone interact. energy: -0.435
local terms energy: -237.139366
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -31.288
flat angles C4'-P-C4' energy: -56.116
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -65.494
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: 328
Temperature: 1.100000
Total energy: -748.970674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.970674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.970674 (E_RNA)
where:
Base-Base interactions energy: -507.396
where: short stacking energy: -229.378
Base-Backbone interact. energy: 2.004
local terms energy: -243.578885
where:
bonds (distance) C4'-P energy: -42.555
bonds (distance) P-C4' energy: -41.519
flat angles C4'-P-C4' energy: -52.699
flat angles P-C4'-P energy: -38.953
tors. eta vs tors. theta energy: -67.853
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: 328
Temperature: 1.150000
Total energy: -724.683194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.683194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.683194 (E_RNA)
where:
Base-Base interactions energy: -503.555
where: short stacking energy: -224.848
Base-Backbone interact. energy: -0.924
local terms energy: -220.203505
where:
bonds (distance) C4'-P energy: -36.615
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -49.214
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: -71.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -677.206936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.206936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.206936 (E_RNA)
where:
Base-Base interactions energy: -457.918
where: short stacking energy: -199.310
Base-Backbone interact. energy: 0.695
local terms energy: -219.984137
where:
bonds (distance) C4'-P energy: -44.550
bonds (distance) P-C4' energy: -35.060
flat angles C4'-P-C4' energy: -51.304
flat angles P-C4'-P energy: -33.219
tors. eta vs tors. theta energy: -55.852
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: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -444.336641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.336641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.336641 (E_RNA)
where:
Base-Base interactions energy: -271.254
where: short stacking energy: -143.551
Base-Backbone interact. energy: -1.464
local terms energy: -171.618938
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -42.304
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -248.286440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.286440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.286440 (E_RNA)
where:
Base-Base interactions energy: -114.362
where: short stacking energy: -75.426
Base-Backbone interact. energy: -1.480
local terms energy: -132.444039
where:
bonds (distance) C4'-P energy: -32.110
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -32.101
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -198.755731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.755731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.755731 (E_RNA)
where:
Base-Base interactions energy: -77.693
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.915
local terms energy: -120.147637
where:
bonds (distance) C4'-P energy: -34.785
bonds (distance) P-C4' energy: -38.060
flat angles C4'-P-C4' energy: -30.022
flat angles P-C4'-P energy: -23.884
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)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -910.501735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.501735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.501735 (E_RNA)
where:
Base-Base interactions energy: -644.635
where: short stacking energy: -272.368
Base-Backbone interact. energy: -0.748
local terms energy: -265.118473
where:
bonds (distance) C4'-P energy: -45.159
bonds (distance) P-C4' energy: -43.675
flat angles C4'-P-C4' energy: -49.206
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -82.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -891.055822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.055822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.055822 (E_RNA)
where:
Base-Base interactions energy: -630.841
where: short stacking energy: -272.379
Base-Backbone interact. energy: -0.280
local terms energy: -259.934116
where:
bonds (distance) C4'-P energy: -37.751
bonds (distance) P-C4' energy: -51.370
flat angles C4'-P-C4' energy: -52.902
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -81.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -873.275680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.275680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.275680 (E_RNA)
where:
Base-Base interactions energy: -611.451
where: short stacking energy: -253.328
Base-Backbone interact. energy: -0.347
local terms energy: -261.478272
where:
bonds (distance) C4'-P energy: -45.571
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -43.334
tors. eta vs tors. theta energy: -78.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -779.950239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.950239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.950239 (E_RNA)
where:
Base-Base interactions energy: -543.589
where: short stacking energy: -240.438
Base-Backbone interact. energy: -1.761
local terms energy: -234.600037
where:
bonds (distance) C4'-P energy: -36.349
bonds (distance) P-C4' energy: -41.640
flat angles C4'-P-C4' energy: -48.152
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -71.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -743.167663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.167663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.167663 (E_RNA)
where:
Base-Base interactions energy: -519.241
where: short stacking energy: -218.394
Base-Backbone interact. energy: -0.906
local terms energy: -223.020666
where:
bonds (distance) C4'-P energy: -37.085
bonds (distance) P-C4' energy: -43.518
flat angles C4'-P-C4' energy: -47.180
flat angles P-C4'-P energy: -29.239
tors. eta vs tors. theta energy: -65.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -747.973345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.973345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.973345 (E_RNA)
where:
Base-Base interactions energy: -531.259
where: short stacking energy: -233.660
Base-Backbone interact. energy: -0.417
local terms energy: -216.297366
where:
bonds (distance) C4'-P energy: -34.331
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: -70.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -685.759799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.759799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.759799 (E_RNA)
where:
Base-Base interactions energy: -477.937
where: short stacking energy: -210.138
Base-Backbone interact. energy: -0.093
local terms energy: -207.730112
where:
bonds (distance) C4'-P energy: -33.285
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -42.498
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -57.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -460.319400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.319400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.319400 (E_RNA)
where:
Base-Base interactions energy: -292.422
where: short stacking energy: -125.003
Base-Backbone interact. energy: -0.942
local terms energy: -166.955160
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -35.388
flat angles C4'-P-C4' energy: -42.420
flat angles P-C4'-P energy: -21.820
tors. eta vs tors. theta energy: -27.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -204.419771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.419771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.419771 (E_RNA)
where:
Base-Base interactions energy: -77.120
where: short stacking energy: -73.778
Base-Backbone interact. energy: -0.220
local terms energy: -127.080104
where:
bonds (distance) C4'-P energy: -39.906
bonds (distance) P-C4' energy: -40.592
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: 6.522
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: 329
Temperature: 1.350000
Total energy: -212.678573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.678573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.678573 (E_RNA)
where:
Base-Base interactions energy: -78.644
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.817
local terms energy: -133.217514
where:
bonds (distance) C4'-P energy: -37.484
bonds (distance) P-C4' energy: -39.839
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -912.143381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.143381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.143381 (E_RNA)
where:
Base-Base interactions energy: -648.386
where: short stacking energy: -276.637
Base-Backbone interact. energy: -0.214
local terms energy: -263.543863
where:
bonds (distance) C4'-P energy: -42.732
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -51.603
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -82.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -907.139085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.139085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.139085 (E_RNA)
where:
Base-Base interactions energy: -634.063
where: short stacking energy: -275.684
Base-Backbone interact. energy: -0.424
local terms energy: -272.651602
where:
bonds (distance) C4'-P energy: -48.227
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -49.311
flat angles P-C4'-P energy: -39.953
tors. eta vs tors. theta energy: -88.905
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: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -877.960508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.960508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.960508 (E_RNA)
where:
Base-Base interactions energy: -620.484
where: short stacking energy: -263.727
Base-Backbone interact. energy: -0.008
local terms energy: -257.468610
where:
bonds (distance) C4'-P energy: -41.515
bonds (distance) P-C4' energy: -45.190
flat angles C4'-P-C4' energy: -51.450
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -79.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -779.945904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.945904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.945904 (E_RNA)
where:
Base-Base interactions energy: -549.420
where: short stacking energy: -230.294
Base-Backbone interact. energy: 0.081
local terms energy: -230.607605
where:
bonds (distance) C4'-P energy: -48.640
bonds (distance) P-C4' energy: -35.308
flat angles C4'-P-C4' energy: -49.093
flat angles P-C4'-P energy: -27.078
tors. eta vs tors. theta energy: -70.488
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: 330
Temperature: 1.100000
Total energy: -743.728568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.728568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.728568 (E_RNA)
where:
Base-Base interactions energy: -530.647
where: short stacking energy: -225.910
Base-Backbone interact. energy: 2.112
local terms energy: -215.193317
where:
bonds (distance) C4'-P energy: -41.715
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -45.632
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -72.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -739.688654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.688654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.688654 (E_RNA)
where:
Base-Base interactions energy: -520.818
where: short stacking energy: -221.430
Base-Backbone interact. energy: -0.870
local terms energy: -218.000560
where:
bonds (distance) C4'-P energy: -38.159
bonds (distance) P-C4' energy: -43.644
flat angles C4'-P-C4' energy: -44.176
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -65.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -658.543141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.543141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.543141 (E_RNA)
where:
Base-Base interactions energy: -463.491
where: short stacking energy: -192.866
Base-Backbone interact. energy: -0.725
local terms energy: -194.327628
where:
bonds (distance) C4'-P energy: -29.386
bonds (distance) P-C4' energy: -36.536
flat angles C4'-P-C4' energy: -47.142
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -51.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -472.214755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.214755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.214755 (E_RNA)
where:
Base-Base interactions energy: -296.652
where: short stacking energy: -142.091
Base-Backbone interact. energy: -1.159
local terms energy: -174.404148
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -42.518
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -23.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -214.413801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.413801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.413801 (E_RNA)
where:
Base-Base interactions energy: -101.828
where: short stacking energy: -64.022
Base-Backbone interact. energy: 0.903
local terms energy: -113.488557
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -42.493
flat angles C4'-P-C4' energy: -30.420
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -1.438
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: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -189.484755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.484755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484755 (E_RNA)
where:
Base-Base interactions energy: -52.360
where: short stacking energy: -49.606
Base-Backbone interact. energy: 1.179
local terms energy: -138.304028
where:
bonds (distance) C4'-P energy: -32.544
bonds (distance) P-C4' energy: -45.810
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -899.841433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.841433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.841433 (E_RNA)
where:
Base-Base interactions energy: -639.910
where: short stacking energy: -267.446
Base-Backbone interact. energy: -0.301
local terms energy: -259.630067
where:
bonds (distance) C4'-P energy: -39.372
bonds (distance) P-C4' energy: -47.927
flat angles C4'-P-C4' energy: -51.793
flat angles P-C4'-P energy: -36.284
tors. eta vs tors. theta energy: -84.255
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: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -898.656046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.656046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.656046 (E_RNA)
where:
Base-Base interactions energy: -622.172
where: short stacking energy: -268.516
Base-Backbone interact. energy: -0.304
local terms energy: -276.180520
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -46.634
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -84.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -866.491859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.491859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.491859 (E_RNA)
where:
Base-Base interactions energy: -611.316
where: short stacking energy: -263.027
Base-Backbone interact. energy: -0.036
local terms energy: -255.139812
where:
bonds (distance) C4'-P energy: -46.128
bonds (distance) P-C4' energy: -42.172
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -82.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -770.579953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.579953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.579953 (E_RNA)
where:
Base-Base interactions energy: -545.359
where: short stacking energy: -230.090
Base-Backbone interact. energy: -0.003
local terms energy: -225.218211
where:
bonds (distance) C4'-P energy: -31.363
bonds (distance) P-C4' energy: -37.741
flat angles C4'-P-C4' energy: -51.558
flat angles P-C4'-P energy: -35.625
tors. eta vs tors. theta energy: -68.931
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: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -739.504361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.504361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.504361 (E_RNA)
where:
Base-Base interactions energy: -514.533
where: short stacking energy: -227.760
Base-Backbone interact. energy: -1.901
local terms energy: -223.070731
where:
bonds (distance) C4'-P energy: -35.210
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -47.103
flat angles P-C4'-P energy: -28.331
tors. eta vs tors. theta energy: -70.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -728.024505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.024505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.024505 (E_RNA)
where:
Base-Base interactions energy: -509.835
where: short stacking energy: -217.217
Base-Backbone interact. energy: -0.204
local terms energy: -217.985367
where:
bonds (distance) C4'-P energy: -29.650
bonds (distance) P-C4' energy: -35.023
flat angles C4'-P-C4' energy: -46.298
flat angles P-C4'-P energy: -42.750
tors. eta vs tors. theta energy: -64.265
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: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -661.786414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.786414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.786414 (E_RNA)
where:
Base-Base interactions energy: -458.608
where: short stacking energy: -189.064
Base-Backbone interact. energy: -0.192
local terms energy: -202.985703
where:
bonds (distance) C4'-P energy: -36.857
bonds (distance) P-C4' energy: -37.178
flat angles C4'-P-C4' energy: -42.789
flat angles P-C4'-P energy: -29.315
tors. eta vs tors. theta energy: -56.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -472.324984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.324984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.324984 (E_RNA)
where:
Base-Base interactions energy: -297.118
where: short stacking energy: -138.783
Base-Backbone interact. energy: -0.897
local terms energy: -174.309806
where:
bonds (distance) C4'-P energy: -30.480
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -39.491
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -42.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -233.745705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.745705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.745705 (E_RNA)
where:
Base-Base interactions energy: -100.129
where: short stacking energy: -74.646
Base-Backbone interact. energy: 4.208
local terms energy: -137.824779
where:
bonds (distance) C4'-P energy: -44.589
bonds (distance) P-C4' energy: -43.806
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: 0.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -200.007907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.007907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.007907 (E_RNA)
where:
Base-Base interactions energy: -61.976
where: short stacking energy: -56.989
Base-Backbone interact. energy: 1.765
local terms energy: -139.796762
where:
bonds (distance) C4'-P energy: -42.153
bonds (distance) P-C4' energy: -45.635
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: 11.246
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: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -891.587855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.587855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.587855 (E_RNA)
where:
Base-Base interactions energy: -637.739
where: short stacking energy: -263.801
Base-Backbone interact. energy: -0.257
local terms energy: -253.592453
where:
bonds (distance) C4'-P energy: -43.790
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -49.125
flat angles P-C4'-P energy: -39.702
tors. eta vs tors. theta energy: -81.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -881.013968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.013968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.013968 (E_RNA)
where:
Base-Base interactions energy: -629.534
where: short stacking energy: -271.487
Base-Backbone interact. energy: -0.067
local terms energy: -251.412299
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -48.110
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -76.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -879.061985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.061985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.061985 (E_RNA)
where:
Base-Base interactions energy: -619.714
where: short stacking energy: -264.511
Base-Backbone interact. energy: -1.985
local terms energy: -257.363078
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -47.231
flat angles C4'-P-C4' energy: -51.242
flat angles P-C4'-P energy: -36.666
tors. eta vs tors. theta energy: -78.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -782.718620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.718620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.718620 (E_RNA)
where:
Base-Base interactions energy: -550.173
where: short stacking energy: -237.969
Base-Backbone interact. energy: -0.198
local terms energy: -232.347559
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -40.561
flat angles C4'-P-C4' energy: -48.065
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -69.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -724.850485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.850485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.850485 (E_RNA)
where:
Base-Base interactions energy: -514.779
where: short stacking energy: -214.339
Base-Backbone interact. energy: -0.428
local terms energy: -209.643537
where:
bonds (distance) C4'-P energy: -38.864
bonds (distance) P-C4' energy: -37.432
flat angles C4'-P-C4' energy: -47.877
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -58.919
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: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -711.274488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.274488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.274488 (E_RNA)
where:
Base-Base interactions energy: -494.552
where: short stacking energy: -215.208
Base-Backbone interact. energy: -0.576
local terms energy: -216.146539
where:
bonds (distance) C4'-P energy: -23.048
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -65.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -667.241138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.241138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.241138 (E_RNA)
where:
Base-Base interactions energy: -453.720
where: short stacking energy: -196.857
Base-Backbone interact. energy: -1.595
local terms energy: -211.926320
where:
bonds (distance) C4'-P energy: -40.066
bonds (distance) P-C4' energy: -41.348
flat angles C4'-P-C4' energy: -50.664
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -55.279
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: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -508.420847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.420847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.420847 (E_RNA)
where:
Base-Base interactions energy: -325.262
where: short stacking energy: -163.858
Base-Backbone interact. energy: -1.158
local terms energy: -182.001362
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -45.220
flat angles C4'-P-C4' energy: -38.521
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -42.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -236.500419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.500419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.500419 (E_RNA)
where:
Base-Base interactions energy: -94.367
where: short stacking energy: -54.308
Base-Backbone interact. energy: -1.468
local terms energy: -140.666122
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -27.939
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -214.696521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.696521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.696521 (E_RNA)
where:
Base-Base interactions energy: -92.757
where: short stacking energy: -76.932
Base-Backbone interact. energy: -0.630
local terms energy: -121.309852
where:
bonds (distance) C4'-P energy: -36.121
bonds (distance) P-C4' energy: -41.075
flat angles C4'-P-C4' energy: -32.498
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: 1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -894.244381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.244381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.244381 (E_RNA)
where:
Base-Base interactions energy: -636.511
where: short stacking energy: -254.369
Base-Backbone interact. energy: -0.888
local terms energy: -256.845568
where:
bonds (distance) C4'-P energy: -45.361
bonds (distance) P-C4' energy: -47.699
flat angles C4'-P-C4' energy: -52.327
flat angles P-C4'-P energy: -35.943
tors. eta vs tors. theta energy: -75.517
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: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -889.876521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.876521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.876521 (E_RNA)
where:
Base-Base interactions energy: -627.272
where: short stacking energy: -260.790
Base-Backbone interact. energy: -0.351
local terms energy: -262.253580
where:
bonds (distance) C4'-P energy: -43.653
bonds (distance) P-C4' energy: -44.169
flat angles C4'-P-C4' energy: -52.576
flat angles P-C4'-P energy: -39.449
tors. eta vs tors. theta energy: -82.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -885.946486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.946486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.946486 (E_RNA)
where:
Base-Base interactions energy: -622.037
where: short stacking energy: -271.088
Base-Backbone interact. energy: -0.071
local terms energy: -263.838076
where:
bonds (distance) C4'-P energy: -46.402
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -49.480
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -81.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -785.635500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.635500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.635500 (E_RNA)
where:
Base-Base interactions energy: -532.995
where: short stacking energy: -235.686
Base-Backbone interact. energy: -0.983
local terms energy: -251.656918
where:
bonds (distance) C4'-P energy: -41.471
bonds (distance) P-C4' energy: -53.432
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -69.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -746.003188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.003188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.003188 (E_RNA)
where:
Base-Base interactions energy: -504.593
where: short stacking energy: -213.762
Base-Backbone interact. energy: -2.300
local terms energy: -239.110975
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -49.171
flat angles C4'-P-C4' energy: -52.072
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -63.925
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: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -736.993578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.993578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.993578 (E_RNA)
where:
Base-Base interactions energy: -510.005
where: short stacking energy: -233.930
Base-Backbone interact. energy: -1.488
local terms energy: -225.499895
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -74.578
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: 333
Temperature: 1.200000
Total energy: -679.593946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.593946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.593946 (E_RNA)
where:
Base-Base interactions energy: -474.358
where: short stacking energy: -208.370
Base-Backbone interact. energy: -0.305
local terms energy: -204.930871
where:
bonds (distance) C4'-P energy: -32.833
bonds (distance) P-C4' energy: -35.290
flat angles C4'-P-C4' energy: -42.307
flat angles P-C4'-P energy: -34.509
tors. eta vs tors. theta energy: -59.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -437.440875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.440875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.440875 (E_RNA)
where:
Base-Base interactions energy: -270.925
where: short stacking energy: -139.370
Base-Backbone interact. energy: 1.323
local terms energy: -167.838516
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -29.144
tors. eta vs tors. theta energy: -34.863
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: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -246.038162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.038162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.038162 (E_RNA)
where:
Base-Base interactions energy: -109.941
where: short stacking energy: -74.236
Base-Backbone interact. energy: -0.173
local terms energy: -135.923306
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -38.522
flat angles C4'-P-C4' energy: -37.137
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -198.278616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.278616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.278616 (E_RNA)
where:
Base-Base interactions energy: -68.744
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.431
local terms energy: -129.104269
where:
bonds (distance) C4'-P energy: -41.580
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -38.247
flat angles P-C4'-P energy: -27.247
tors. eta vs tors. theta energy: 0.989
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: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -908.075832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.075832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.075832 (E_RNA)
where:
Base-Base interactions energy: -646.218
where: short stacking energy: -271.604
Base-Backbone interact. energy: -0.017
local terms energy: -261.841155
where:
bonds (distance) C4'-P energy: -48.198
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -52.822
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -79.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -888.074094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.074094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.074094 (E_RNA)
where:
Base-Base interactions energy: -626.399
where: short stacking energy: -259.268
Base-Backbone interact. energy: -0.958
local terms energy: -260.716625
where:
bonds (distance) C4'-P energy: -49.091
bonds (distance) P-C4' energy: -41.106
flat angles C4'-P-C4' energy: -53.073
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -82.990
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: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -893.889787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.889787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.889787 (E_RNA)
where:
Base-Base interactions energy: -641.451
where: short stacking energy: -259.347
Base-Backbone interact. energy: -0.829
local terms energy: -251.609500
where:
bonds (distance) C4'-P energy: -46.578
bonds (distance) P-C4' energy: -43.052
flat angles C4'-P-C4' energy: -48.882
flat angles P-C4'-P energy: -36.293
tors. eta vs tors. theta energy: -76.805
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -785.029766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.029766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.029766 (E_RNA)
where:
Base-Base interactions energy: -549.422
where: short stacking energy: -236.317
Base-Backbone interact. energy: -0.897
local terms energy: -234.711129
where:
bonds (distance) C4'-P energy: -43.413
bonds (distance) P-C4' energy: -42.126
flat angles C4'-P-C4' energy: -44.345
flat angles P-C4'-P energy: -32.488
tors. eta vs tors. theta energy: -72.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -738.182413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.182413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.182413 (E_RNA)
where:
Base-Base interactions energy: -509.082
where: short stacking energy: -225.695
Base-Backbone interact. energy: -0.802
local terms energy: -228.298053
where:
bonds (distance) C4'-P energy: -47.075
bonds (distance) P-C4' energy: -42.540
flat angles C4'-P-C4' energy: -47.373
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -68.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -715.408531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.408531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.408531 (E_RNA)
where:
Base-Base interactions energy: -496.377
where: short stacking energy: -207.171
Base-Backbone interact. energy: -1.181
local terms energy: -217.850886
where:
bonds (distance) C4'-P energy: -40.280
bonds (distance) P-C4' energy: -43.403
flat angles C4'-P-C4' energy: -40.418
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -61.616
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: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -698.398847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.398847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.398847 (E_RNA)
where:
Base-Base interactions energy: -493.444
where: short stacking energy: -206.573
Base-Backbone interact. energy: -1.607
local terms energy: -203.347727
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: -53.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -435.099285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.099285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.099285 (E_RNA)
where:
Base-Base interactions energy: -271.038
where: short stacking energy: -122.629
Base-Backbone interact. energy: -1.964
local terms energy: -162.096671
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -36.486
flat angles P-C4'-P energy: -31.180
tors. eta vs tors. theta energy: -24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -309.909268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.909268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.909268 (E_RNA)
where:
Base-Base interactions energy: -160.345
where: short stacking energy: -101.425
Base-Backbone interact. energy: 0.068
local terms energy: -149.631982
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -24.902
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -201.653249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.653249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.653249 (E_RNA)
where:
Base-Base interactions energy: -65.017
where: short stacking energy: -60.940
Base-Backbone interact. energy: 1.136
local terms energy: -137.771683
where:
bonds (distance) C4'-P energy: -41.928
bonds (distance) P-C4' energy: -36.829
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: 4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -921.658180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.658180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.658180 (E_RNA)
where:
Base-Base interactions energy: -639.449
where: short stacking energy: -263.126
Base-Backbone interact. energy: -0.106
local terms energy: -282.103625
where:
bonds (distance) C4'-P energy: -54.821
bonds (distance) P-C4' energy: -48.345
flat angles C4'-P-C4' energy: -54.279
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -82.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -901.236090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.236090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.236090 (E_RNA)
where:
Base-Base interactions energy: -640.249
where: short stacking energy: -264.505
Base-Backbone interact. energy: -1.100
local terms energy: -259.886909
where:
bonds (distance) C4'-P energy: -46.945
bonds (distance) P-C4' energy: -44.028
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -38.135
tors. eta vs tors. theta energy: -82.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -874.784074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.784074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.784074 (E_RNA)
where:
Base-Base interactions energy: -623.638
where: short stacking energy: -255.794
Base-Backbone interact. energy: -0.376
local terms energy: -250.770582
where:
bonds (distance) C4'-P energy: -33.915
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -49.443
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -83.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -776.393949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.393949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.393949 (E_RNA)
where:
Base-Base interactions energy: -531.157
where: short stacking energy: -227.729
Base-Backbone interact. energy: -1.544
local terms energy: -243.692937
where:
bonds (distance) C4'-P energy: -38.514
bonds (distance) P-C4' energy: -44.204
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -38.693
tors. eta vs tors. theta energy: -70.647
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: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -745.497834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.497834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.497834 (E_RNA)
where:
Base-Base interactions energy: -516.244
where: short stacking energy: -232.372
Base-Backbone interact. energy: -0.441
local terms energy: -228.812956
where:
bonds (distance) C4'-P energy: -36.453
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -50.908
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -70.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -715.559568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.559568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.559568 (E_RNA)
where:
Base-Base interactions energy: -499.804
where: short stacking energy: -205.961
Base-Backbone interact. energy: -0.142
local terms energy: -215.613779
where:
bonds (distance) C4'-P energy: -36.672
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -32.745
tors. eta vs tors. theta energy: -60.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -680.517640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.517640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.517640 (E_RNA)
where:
Base-Base interactions energy: -470.363
where: short stacking energy: -192.714
Base-Backbone interact. energy: -1.034
local terms energy: -209.120354
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -35.670
flat angles C4'-P-C4' energy: -47.752
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -47.784
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: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -415.006542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.006542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.006542 (E_RNA)
where:
Base-Base interactions energy: -257.792
where: short stacking energy: -134.237
Base-Backbone interact. energy: 0.131
local terms energy: -157.345695
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -34.615
flat angles C4'-P-C4' energy: -40.965
flat angles P-C4'-P energy: -31.495
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -266.528334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.528334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.528334 (E_RNA)
where:
Base-Base interactions energy: -137.702
where: short stacking energy: -73.807
Base-Backbone interact. energy: -0.836
local terms energy: -127.990128
where:
bonds (distance) C4'-P energy: -38.112
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -32.861
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: 0.672
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: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -195.242032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.242032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.242032 (E_RNA)
where:
Base-Base interactions energy: -51.401
where: short stacking energy: -46.729
Base-Backbone interact. energy: -0.700
local terms energy: -143.141317
where:
bonds (distance) C4'-P energy: -37.154
bonds (distance) P-C4' energy: -40.738
flat angles C4'-P-C4' energy: -41.016
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -918.325445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.325445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.325445 (E_RNA)
where:
Base-Base interactions energy: -641.259
where: short stacking energy: -258.426
Base-Backbone interact. energy: -1.554
local terms energy: -275.511821
where:
bonds (distance) C4'-P energy: -47.154
bonds (distance) P-C4' energy: -53.009
flat angles C4'-P-C4' energy: -52.914
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -81.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -894.490567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.490567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.490567 (E_RNA)
where:
Base-Base interactions energy: -632.389
where: short stacking energy: -276.613
Base-Backbone interact. energy: -0.469
local terms energy: -261.632279
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -52.843
flat angles C4'-P-C4' energy: -51.741
flat angles P-C4'-P energy: -35.719
tors. eta vs tors. theta energy: -81.376
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: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -868.483907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.483907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.483907 (E_RNA)
where:
Base-Base interactions energy: -616.050
where: short stacking energy: -254.998
Base-Backbone interact. energy: -0.004
local terms energy: -252.429905
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -45.683
flat angles C4'-P-C4' energy: -54.597
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -80.683
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: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -793.171755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.171755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.171755 (E_RNA)
where:
Base-Base interactions energy: -546.430
where: short stacking energy: -224.902
Base-Backbone interact. energy: -1.153
local terms energy: -245.588609
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -47.064
flat angles C4'-P-C4' energy: -52.339
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -71.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -735.704728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.704728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.704728 (E_RNA)
where:
Base-Base interactions energy: -509.890
where: short stacking energy: -226.090
Base-Backbone interact. energy: -0.768
local terms energy: -225.046213
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -40.423
flat angles C4'-P-C4' energy: -45.350
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -74.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -722.442748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.442748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.442748 (E_RNA)
where:
Base-Base interactions energy: -490.981
where: short stacking energy: -207.579
Base-Backbone interact. energy: -1.647
local terms energy: -229.815049
where:
bonds (distance) C4'-P energy: -42.509
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -47.839
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -58.419
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -660.230949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.230949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.230949 (E_RNA)
where:
Base-Base interactions energy: -453.060
where: short stacking energy: -185.027
Base-Backbone interact. energy: 0.250
local terms energy: -207.420285
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -45.115
flat angles C4'-P-C4' energy: -41.909
flat angles P-C4'-P energy: -33.114
tors. eta vs tors. theta energy: -49.540
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: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -421.565651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.565651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.565651 (E_RNA)
where:
Base-Base interactions energy: -254.645
where: short stacking energy: -125.898
Base-Backbone interact. energy: -1.269
local terms energy: -165.651546
where:
bonds (distance) C4'-P energy: -39.962
bonds (distance) P-C4' energy: -37.769
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -24.815
tors. eta vs tors. theta energy: -27.690
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: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -268.844192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.844192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.844192 (E_RNA)
where:
Base-Base interactions energy: -136.198
where: short stacking energy: -85.636
Base-Backbone interact. energy: -1.355
local terms energy: -131.290646
where:
bonds (distance) C4'-P energy: -37.023
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -188.468380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.468380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.468380 (E_RNA)
where:
Base-Base interactions energy: -67.869
where: short stacking energy: -51.592
Base-Backbone interact. energy: -0.005
local terms energy: -120.594991
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -35.060
flat angles P-C4'-P energy: -21.690
tors. eta vs tors. theta energy: 14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -900.654032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.654032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.654032 (E_RNA)
where:
Base-Base interactions energy: -628.655
where: short stacking energy: -273.807
Base-Backbone interact. energy: -0.004
local terms energy: -271.995066
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -43.259
flat angles C4'-P-C4' energy: -56.226
flat angles P-C4'-P energy: -41.571
tors. eta vs tors. theta energy: -82.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -880.237299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.237299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.237299 (E_RNA)
where:
Base-Base interactions energy: -616.198
where: short stacking energy: -259.387
Base-Backbone interact. energy: -0.068
local terms energy: -263.971157
where:
bonds (distance) C4'-P energy: -37.859
bonds (distance) P-C4' energy: -45.428
flat angles C4'-P-C4' energy: -56.567
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -81.973
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: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -894.235605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.235605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.235605 (E_RNA)
where:
Base-Base interactions energy: -622.579
where: short stacking energy: -262.660
Base-Backbone interact. energy: -0.549
local terms energy: -271.107171
where:
bonds (distance) C4'-P energy: -49.113
bonds (distance) P-C4' energy: -50.222
flat angles C4'-P-C4' energy: -51.310
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -84.503
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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -782.190320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.190320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.190320 (E_RNA)
where:
Base-Base interactions energy: -536.712
where: short stacking energy: -242.519
Base-Backbone interact. energy: -0.585
local terms energy: -244.893142
where:
bonds (distance) C4'-P energy: -44.823
bonds (distance) P-C4' energy: -48.592
flat angles C4'-P-C4' energy: -54.046
flat angles P-C4'-P energy: -31.296
tors. eta vs tors. theta energy: -66.136
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -730.029332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.029332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.029332 (E_RNA)
where:
Base-Base interactions energy: -515.951
where: short stacking energy: -234.241
Base-Backbone interact. energy: 0.534
local terms energy: -214.611932
where:
bonds (distance) C4'-P energy: -29.877
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -50.112
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -73.470
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: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -737.059656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.059656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.059656 (E_RNA)
where:
Base-Base interactions energy: -512.236
where: short stacking energy: -211.618
Base-Backbone interact. energy: -0.470
local terms energy: -224.353155
where:
bonds (distance) C4'-P energy: -38.490
bonds (distance) P-C4' energy: -47.171
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -28.413
tors. eta vs tors. theta energy: -65.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -676.199194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.199194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.199194 (E_RNA)
where:
Base-Base interactions energy: -480.067
where: short stacking energy: -201.833
Base-Backbone interact. energy: 0.854
local terms energy: -196.986751
where:
bonds (distance) C4'-P energy: -37.889
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -39.810
flat angles P-C4'-P energy: -24.776
tors. eta vs tors. theta energy: -59.019
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: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -418.383936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.383936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.383936 (E_RNA)
where:
Base-Base interactions energy: -248.153
where: short stacking energy: -116.800
Base-Backbone interact. energy: -0.428
local terms energy: -169.803099
where:
bonds (distance) C4'-P energy: -48.915
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -26.094
tors. eta vs tors. theta energy: -20.292
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: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -244.138738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.138738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.138738 (E_RNA)
where:
Base-Base interactions energy: -116.548
where: short stacking energy: -78.048
Base-Backbone interact. energy: 2.561
local terms energy: -130.151698
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -40.175
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -27.199
tors. eta vs tors. theta energy: 0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -235.435128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.435128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.435128 (E_RNA)
where:
Base-Base interactions energy: -100.967
where: short stacking energy: -79.266
Base-Backbone interact. energy: -0.906
local terms energy: -133.561967
where:
bonds (distance) C4'-P energy: -35.257
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -37.775
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -910.954505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.954505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.954505 (E_RNA)
where:
Base-Base interactions energy: -630.993
where: short stacking energy: -271.827
Base-Backbone interact. energy: -0.497
local terms energy: -279.464344
where:
bonds (distance) C4'-P energy: -52.333
bonds (distance) P-C4' energy: -46.299
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -44.015
tors. eta vs tors. theta energy: -83.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -884.854396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.854396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.854396 (E_RNA)
where:
Base-Base interactions energy: -625.831
where: short stacking energy: -274.252
Base-Backbone interact. energy: -0.026
local terms energy: -258.996690
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -53.480
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: -85.428
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: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -884.139263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.139263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.139263 (E_RNA)
where:
Base-Base interactions energy: -625.584
where: short stacking energy: -270.425
Base-Backbone interact. energy: -0.093
local terms energy: -258.462534
where:
bonds (distance) C4'-P energy: -42.392
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -79.245
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: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -765.732711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.732711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.732711 (E_RNA)
where:
Base-Base interactions energy: -530.159
where: short stacking energy: -211.011
Base-Backbone interact. energy: 0.722
local terms energy: -236.295458
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -44.315
flat angles C4'-P-C4' energy: -52.073
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -62.581
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: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -727.715766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.715766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.715766 (E_RNA)
where:
Base-Base interactions energy: -503.374
where: short stacking energy: -229.550
Base-Backbone interact. energy: -1.787
local terms energy: -222.554672
where:
bonds (distance) C4'-P energy: -36.560
bonds (distance) P-C4' energy: -35.786
flat angles C4'-P-C4' energy: -48.939
flat angles P-C4'-P energy: -34.131
tors. eta vs tors. theta energy: -67.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -748.899400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.899400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.899400 (E_RNA)
where:
Base-Base interactions energy: -498.189
where: short stacking energy: -229.724
Base-Backbone interact. energy: -1.597
local terms energy: -249.113408
where:
bonds (distance) C4'-P energy: -39.843
bonds (distance) P-C4' energy: -42.421
flat angles C4'-P-C4' energy: -55.952
flat angles P-C4'-P energy: -34.508
tors. eta vs tors. theta energy: -76.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -674.745318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.745318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.745318 (E_RNA)
where:
Base-Base interactions energy: -467.632
where: short stacking energy: -200.597
Base-Backbone interact. energy: -0.802
local terms energy: -206.310943
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -47.192
flat angles P-C4'-P energy: -22.540
tors. eta vs tors. theta energy: -61.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -413.261721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.261721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.261721 (E_RNA)
where:
Base-Base interactions energy: -234.481
where: short stacking energy: -120.487
Base-Backbone interact. energy: -1.634
local terms energy: -177.146878
where:
bonds (distance) C4'-P energy: -41.002
bonds (distance) P-C4' energy: -43.175
flat angles C4'-P-C4' energy: -47.718
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -19.247
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: 338
Temperature: 1.300000
Total energy: -213.342941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.342941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.342941 (E_RNA)
where:
Base-Base interactions energy: -77.743
where: short stacking energy: -50.029
Base-Backbone interact. energy: 3.661
local terms energy: -139.260709
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -50.051
flat angles C4'-P-C4' energy: -40.959
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: 13.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -225.099176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.099176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.099176 (E_RNA)
where:
Base-Base interactions energy: -92.586
where: short stacking energy: -60.661
Base-Backbone interact. energy: -1.579
local terms energy: -130.934370
where:
bonds (distance) C4'-P energy: -31.283
bonds (distance) P-C4' energy: -45.127
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -19.789
tors. eta vs tors. theta energy: 1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -920.667462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.667462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.667462 (E_RNA)
where:
Base-Base interactions energy: -648.128
where: short stacking energy: -271.861
Base-Backbone interact. energy: -1.520
local terms energy: -271.019470
where:
bonds (distance) C4'-P energy: -43.218
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -83.244
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: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -888.182595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.182595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.182595 (E_RNA)
where:
Base-Base interactions energy: -627.834
where: short stacking energy: -267.354
Base-Backbone interact. energy: -0.088
local terms energy: -260.260159
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -46.174
flat angles C4'-P-C4' energy: -58.649
flat angles P-C4'-P energy: -35.102
tors. eta vs tors. theta energy: -85.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -873.915780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.915780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.915780 (E_RNA)
where:
Base-Base interactions energy: -621.474
where: short stacking energy: -251.872
Base-Backbone interact. energy: -0.814
local terms energy: -251.627725
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -55.131
flat angles P-C4'-P energy: -37.250
tors. eta vs tors. theta energy: -76.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -770.915026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.915026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.915026 (E_RNA)
where:
Base-Base interactions energy: -543.760
where: short stacking energy: -225.148
Base-Backbone interact. energy: 1.912
local terms energy: -229.067448
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -49.881
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -56.682
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: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -770.088592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.088592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.088592 (E_RNA)
where:
Base-Base interactions energy: -540.755
where: short stacking energy: -224.047
Base-Backbone interact. energy: 1.469
local terms energy: -230.802630
where:
bonds (distance) C4'-P energy: -45.696
bonds (distance) P-C4' energy: -34.709
flat angles C4'-P-C4' energy: -48.072
flat angles P-C4'-P energy: -34.610
tors. eta vs tors. theta energy: -67.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -734.812302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.812302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.812302 (E_RNA)
where:
Base-Base interactions energy: -521.503
where: short stacking energy: -224.558
Base-Backbone interact. energy: -1.069
local terms energy: -212.239428
where:
bonds (distance) C4'-P energy: -28.217
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -49.918
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -70.209
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: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -673.874449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.874449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.874449 (E_RNA)
where:
Base-Base interactions energy: -467.472
where: short stacking energy: -210.083
Base-Backbone interact. energy: -0.615
local terms energy: -205.787807
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -35.711
flat angles C4'-P-C4' energy: -47.107
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -58.060
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: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -439.247343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.247343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.247343 (E_RNA)
where:
Base-Base interactions energy: -278.324
where: short stacking energy: -123.162
Base-Backbone interact. energy: -0.554
local terms energy: -160.369084
where:
bonds (distance) C4'-P energy: -32.988
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -227.905642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.905642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.905642 (E_RNA)
where:
Base-Base interactions energy: -85.104
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.968
local terms energy: -141.833582
where:
bonds (distance) C4'-P energy: -38.304
bonds (distance) P-C4' energy: -49.450
flat angles C4'-P-C4' energy: -39.274
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: 7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -205.344634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.344634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.344634 (E_RNA)
where:
Base-Base interactions energy: -65.873
where: short stacking energy: -62.116
Base-Backbone interact. energy: 0.203
local terms energy: -139.674529
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -27.443
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -906.428021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.428021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.428021 (E_RNA)
where:
Base-Base interactions energy: -632.649
where: short stacking energy: -274.878
Base-Backbone interact. energy: -1.057
local terms energy: -272.722257
where:
bonds (distance) C4'-P energy: -37.717
bonds (distance) P-C4' energy: -50.952
flat angles C4'-P-C4' energy: -56.275
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -83.104
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: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -915.598359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.598359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.598359 (E_RNA)
where:
Base-Base interactions energy: -647.996
where: short stacking energy: -274.237
Base-Backbone interact. energy: -0.219
local terms energy: -267.383705
where:
bonds (distance) C4'-P energy: -48.378
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -38.074
tors. eta vs tors. theta energy: -81.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -876.155031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.155031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.155031 (E_RNA)
where:
Base-Base interactions energy: -614.482
where: short stacking energy: -263.249
Base-Backbone interact. energy: -0.524
local terms energy: -261.148821
where:
bonds (distance) C4'-P energy: -40.781
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -53.109
flat angles P-C4'-P energy: -36.244
tors. eta vs tors. theta energy: -81.036
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: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -776.935407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.935407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.935407 (E_RNA)
where:
Base-Base interactions energy: -545.902
where: short stacking energy: -224.943
Base-Backbone interact. energy: -0.596
local terms energy: -230.437646
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -42.692
flat angles C4'-P-C4' energy: -48.603
flat angles P-C4'-P energy: -38.429
tors. eta vs tors. theta energy: -62.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -753.966913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.966913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.966913 (E_RNA)
where:
Base-Base interactions energy: -534.294
where: short stacking energy: -217.514
Base-Backbone interact. energy: -1.782
local terms energy: -217.891116
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -45.266
flat angles C4'-P-C4' energy: -43.527
flat angles P-C4'-P energy: -29.514
tors. eta vs tors. theta energy: -63.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -725.689147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.689147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.689147 (E_RNA)
where:
Base-Base interactions energy: -504.313
where: short stacking energy: -219.855
Base-Backbone interact. energy: -2.398
local terms energy: -218.978005
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -41.871
flat angles C4'-P-C4' energy: -49.747
flat angles P-C4'-P energy: -30.859
tors. eta vs tors. theta energy: -67.232
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: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -658.870023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.870023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.870023 (E_RNA)
where:
Base-Base interactions energy: -461.448
where: short stacking energy: -199.540
Base-Backbone interact. energy: -0.126
local terms energy: -197.296671
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -44.833
flat angles P-C4'-P energy: -25.486
tors. eta vs tors. theta energy: -55.010
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: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -421.162436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.162436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.162436 (E_RNA)
where:
Base-Base interactions energy: -259.489
where: short stacking energy: -139.242
Base-Backbone interact. energy: -1.236
local terms energy: -160.437026
where:
bonds (distance) C4'-P energy: -31.255
bonds (distance) P-C4' energy: -41.919
flat angles C4'-P-C4' energy: -45.722
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -24.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -222.606122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.606122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.606122 (E_RNA)
where:
Base-Base interactions energy: -93.341
where: short stacking energy: -89.354
Base-Backbone interact. energy: -0.501
local terms energy: -128.763432
where:
bonds (distance) C4'-P energy: -31.806
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -31.523
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -15.362
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: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -211.636919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.636919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.636919 (E_RNA)
where:
Base-Base interactions energy: -81.159
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.457
local terms energy: -130.021420
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -34.922
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -909.506100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.506100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.506100 (E_RNA)
where:
Base-Base interactions energy: -645.748
where: short stacking energy: -268.662
Base-Backbone interact. energy: -0.340
local terms energy: -263.417836
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -42.916
flat angles C4'-P-C4' energy: -55.775
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -85.044
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: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -898.822914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.822914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.822914 (E_RNA)
where:
Base-Base interactions energy: -637.116
where: short stacking energy: -268.961
Base-Backbone interact. energy: -1.560
local terms energy: -260.146985
where:
bonds (distance) C4'-P energy: -41.236
bonds (distance) P-C4' energy: -48.224
flat angles C4'-P-C4' energy: -52.671
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -80.248
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: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -883.842725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.842725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.842725 (E_RNA)
where:
Base-Base interactions energy: -633.489
where: short stacking energy: -266.385
Base-Backbone interact. energy: -0.167
local terms energy: -250.186563
where:
bonds (distance) C4'-P energy: -38.331
bonds (distance) P-C4' energy: -41.704
flat angles C4'-P-C4' energy: -50.041
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -80.858
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: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -780.018751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.018751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.018751 (E_RNA)
where:
Base-Base interactions energy: -549.707
where: short stacking energy: -224.456
Base-Backbone interact. energy: 0.321
local terms energy: -230.632933
where:
bonds (distance) C4'-P energy: -46.283
bonds (distance) P-C4' energy: -39.287
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -66.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -753.868492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.868492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.868492 (E_RNA)
where:
Base-Base interactions energy: -526.646
where: short stacking energy: -206.825
Base-Backbone interact. energy: -0.503
local terms energy: -226.719510
where:
bonds (distance) C4'-P energy: -38.260
bonds (distance) P-C4' energy: -47.336
flat angles C4'-P-C4' energy: -52.224
flat angles P-C4'-P energy: -30.384
tors. eta vs tors. theta energy: -58.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -730.457137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.457137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.457137 (E_RNA)
where:
Base-Base interactions energy: -502.049
where: short stacking energy: -224.063
Base-Backbone interact. energy: 0.809
local terms energy: -229.218014
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -36.400
flat angles C4'-P-C4' energy: -52.790
flat angles P-C4'-P energy: -31.319
tors. eta vs tors. theta energy: -70.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -693.885529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.885529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.885529 (E_RNA)
where:
Base-Base interactions energy: -474.368
where: short stacking energy: -214.538
Base-Backbone interact. energy: -0.322
local terms energy: -219.195489
where:
bonds (distance) C4'-P energy: -36.233
bonds (distance) P-C4' energy: -36.117
flat angles C4'-P-C4' energy: -44.786
flat angles P-C4'-P energy: -40.282
tors. eta vs tors. theta energy: -61.777
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: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -451.604031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.604031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.604031 (E_RNA)
where:
Base-Base interactions energy: -280.294
where: short stacking energy: -142.334
Base-Backbone interact. energy: -0.517
local terms energy: -170.792668
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -45.490
flat angles C4'-P-C4' energy: -39.674
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -208.604864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.604864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.604864 (E_RNA)
where:
Base-Base interactions energy: -92.023
where: short stacking energy: -89.985
Base-Backbone interact. energy: 0.751
local terms energy: -117.333127
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -228.199539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.199539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.199539 (E_RNA)
where:
Base-Base interactions energy: -102.555
where: short stacking energy: -57.023
Base-Backbone interact. energy: -0.643
local terms energy: -125.001749
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -36.660
flat angles C4'-P-C4' energy: -37.076
flat angles P-C4'-P energy: -26.885
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: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -904.427657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.427657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.427657 (E_RNA)
where:
Base-Base interactions energy: -630.944
where: short stacking energy: -272.646
Base-Backbone interact. energy: -0.419
local terms energy: -273.064175
where:
bonds (distance) C4'-P energy: -41.844
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -54.723
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -85.532
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: 342
Temperature: 0.950000
Total energy: -897.649761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.649761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.649761 (E_RNA)
where:
Base-Base interactions energy: -633.671
where: short stacking energy: -262.811
Base-Backbone interact. energy: -0.211
local terms energy: -263.767247
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -47.842
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -28.670
tors. eta vs tors. theta energy: -79.373
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: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -873.882061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.882061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.882061 (E_RNA)
where:
Base-Base interactions energy: -622.537
where: short stacking energy: -258.956
Base-Backbone interact. energy: 0.306
local terms energy: -251.651513
where:
bonds (distance) C4'-P energy: -42.879
bonds (distance) P-C4' energy: -46.363
flat angles C4'-P-C4' energy: -44.876
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -81.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -762.232428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.232428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.232428 (E_RNA)
where:
Base-Base interactions energy: -530.305
where: short stacking energy: -214.784
Base-Backbone interact. energy: -0.709
local terms energy: -231.218510
where:
bonds (distance) C4'-P energy: -51.802
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -43.435
flat angles P-C4'-P energy: -33.479
tors. eta vs tors. theta energy: -56.308
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: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -736.631621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.631621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.631621 (E_RNA)
where:
Base-Base interactions energy: -504.717
where: short stacking energy: -215.068
Base-Backbone interact. energy: 4.836
local terms energy: -236.751290
where:
bonds (distance) C4'-P energy: -44.779
bonds (distance) P-C4' energy: -44.235
flat angles C4'-P-C4' energy: -50.012
flat angles P-C4'-P energy: -37.781
tors. eta vs tors. theta energy: -59.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -724.194739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.194739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.194739 (E_RNA)
where:
Base-Base interactions energy: -506.629
where: short stacking energy: -209.851
Base-Backbone interact. energy: -1.956
local terms energy: -215.609818
where:
bonds (distance) C4'-P energy: -37.089
bonds (distance) P-C4' energy: -41.171
flat angles C4'-P-C4' energy: -42.079
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -71.572
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: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -679.218391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.218391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.218391 (E_RNA)
where:
Base-Base interactions energy: -476.332
where: short stacking energy: -210.172
Base-Backbone interact. energy: -0.808
local terms energy: -202.078558
where:
bonds (distance) C4'-P energy: -25.223
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -45.600
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -60.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -454.341254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.341254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.341254 (E_RNA)
where:
Base-Base interactions energy: -291.160
where: short stacking energy: -149.184
Base-Backbone interact. energy: 2.285
local terms energy: -165.466316
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -44.325
flat angles P-C4'-P energy: -23.162
tors. eta vs tors. theta energy: -35.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -225.254386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.254386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.254386 (E_RNA)
where:
Base-Base interactions energy: -78.942
where: short stacking energy: -75.228
Base-Backbone interact. energy: -1.056
local terms energy: -145.256588
where:
bonds (distance) C4'-P energy: -40.816
bonds (distance) P-C4' energy: -43.027
flat angles C4'-P-C4' energy: -36.501
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -198.756414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.756414 (E_RNA)
where:
Base-Base interactions energy: -52.761
where: short stacking energy: -53.204
Base-Backbone interact. energy: -0.080
local terms energy: -145.915397
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -40.465
flat angles P-C4'-P energy: -31.213
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -900.964176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.964176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.964176 (E_RNA)
where:
Base-Base interactions energy: -617.765
where: short stacking energy: -258.871
Base-Backbone interact. energy: -0.130
local terms energy: -283.069579
where:
bonds (distance) C4'-P energy: -48.888
bonds (distance) P-C4' energy: -50.599
flat angles C4'-P-C4' energy: -56.607
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -80.613
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: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -913.572102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.572102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.572102 (E_RNA)
where:
Base-Base interactions energy: -649.680
where: short stacking energy: -271.845
Base-Backbone interact. energy: 0.117
local terms energy: -264.009646
where:
bonds (distance) C4'-P energy: -42.240
bonds (distance) P-C4' energy: -43.516
flat angles C4'-P-C4' energy: -54.663
flat angles P-C4'-P energy: -42.316
tors. eta vs tors. theta energy: -81.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -875.691216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.691216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.691216 (E_RNA)
where:
Base-Base interactions energy: -613.736
where: short stacking energy: -258.097
Base-Backbone interact. energy: -0.726
local terms energy: -261.229915
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -45.409
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -85.599
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: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -761.586404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.586404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.586404 (E_RNA)
where:
Base-Base interactions energy: -538.334
where: short stacking energy: -223.409
Base-Backbone interact. energy: -1.398
local terms energy: -221.854931
where:
bonds (distance) C4'-P energy: -41.798
bonds (distance) P-C4' energy: -39.063
flat angles C4'-P-C4' energy: -49.133
flat angles P-C4'-P energy: -31.322
tors. eta vs tors. theta energy: -60.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -758.139006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.139006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.139006 (E_RNA)
where:
Base-Base interactions energy: -524.388
where: short stacking energy: -222.792
Base-Backbone interact. energy: -0.977
local terms energy: -232.774098
where:
bonds (distance) C4'-P energy: -38.223
bonds (distance) P-C4' energy: -50.298
flat angles C4'-P-C4' energy: -43.649
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -68.655
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: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -701.642728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.642728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.642728 (E_RNA)
where:
Base-Base interactions energy: -491.531
where: short stacking energy: -201.770
Base-Backbone interact. energy: -0.357
local terms energy: -209.755247
where:
bonds (distance) C4'-P energy: -40.766
bonds (distance) P-C4' energy: -38.782
flat angles C4'-P-C4' energy: -46.495
flat angles P-C4'-P energy: -30.073
tors. eta vs tors. theta energy: -53.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -725.003818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.003818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.003818 (E_RNA)
where:
Base-Base interactions energy: -506.066
where: short stacking energy: -237.732
Base-Backbone interact. energy: -1.287
local terms energy: -217.650865
where:
bonds (distance) C4'-P energy: -35.287
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -45.177
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -75.230
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -440.075766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.075766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.075766 (E_RNA)
where:
Base-Base interactions energy: -265.436
where: short stacking energy: -120.354
Base-Backbone interact. energy: -0.273
local terms energy: -174.366691
where:
bonds (distance) C4'-P energy: -38.496
bonds (distance) P-C4' energy: -45.180
flat angles C4'-P-C4' energy: -38.045
flat angles P-C4'-P energy: -25.606
tors. eta vs tors. theta energy: -27.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -221.316755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.316755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.316755 (E_RNA)
where:
Base-Base interactions energy: -79.383
where: short stacking energy: -67.067
Base-Backbone interact. energy: 0.151
local terms energy: -142.085642
where:
bonds (distance) C4'-P energy: -29.314
bonds (distance) P-C4' energy: -44.517
flat angles C4'-P-C4' energy: -37.205
flat angles P-C4'-P energy: -26.261
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -200.942775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.942775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.942775 (E_RNA)
where:
Base-Base interactions energy: -59.578
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.660
local terms energy: -140.705142
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -41.297
flat angles P-C4'-P energy: -19.881
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -912.551063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.551063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.551063 (E_RNA)
where:
Base-Base interactions energy: -650.594
where: short stacking energy: -275.796
Base-Backbone interact. energy: -0.206
local terms energy: -261.751068
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -53.369
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -80.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -895.529199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.529199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.529199 (E_RNA)
where:
Base-Base interactions energy: -620.829
where: short stacking energy: -257.756
Base-Backbone interact. energy: -0.413
local terms energy: -274.287913
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -46.400
flat angles C4'-P-C4' energy: -56.706
flat angles P-C4'-P energy: -38.165
tors. eta vs tors. theta energy: -84.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -886.123796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.123796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.123796 (E_RNA)
where:
Base-Base interactions energy: -628.864
where: short stacking energy: -267.079
Base-Backbone interact. energy: -0.379
local terms energy: -256.880970
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -41.886
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -35.173
tors. eta vs tors. theta energy: -83.486
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: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -754.542564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.542564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.542564 (E_RNA)
where:
Base-Base interactions energy: -531.701
where: short stacking energy: -204.802
Base-Backbone interact. energy: -2.156
local terms energy: -220.684859
where:
bonds (distance) C4'-P energy: -34.042
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -55.869
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: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -780.086006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.086006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.086006 (E_RNA)
where:
Base-Base interactions energy: -531.210
where: short stacking energy: -224.015
Base-Backbone interact. energy: -0.706
local terms energy: -248.170021
where:
bonds (distance) C4'-P energy: -46.665
bonds (distance) P-C4' energy: -39.028
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -40.093
tors. eta vs tors. theta energy: -68.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -696.516163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.516163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.516163 (E_RNA)
where:
Base-Base interactions energy: -491.788
where: short stacking energy: -185.631
Base-Backbone interact. energy: -1.021
local terms energy: -203.707056
where:
bonds (distance) C4'-P energy: -44.310
bonds (distance) P-C4' energy: -38.661
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -32.516
tors. eta vs tors. theta energy: -49.993
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: 344
Temperature: 1.200000
Total energy: -703.258752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.258752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.258752 (E_RNA)
where:
Base-Base interactions energy: -497.324
where: short stacking energy: -220.377
Base-Backbone interact. energy: -3.740
local terms energy: -202.194917
where:
bonds (distance) C4'-P energy: -45.820
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -44.729
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -67.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -440.846385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.846385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.846385 (E_RNA)
where:
Base-Base interactions energy: -279.981
where: short stacking energy: -119.207
Base-Backbone interact. energy: -2.274
local terms energy: -158.592197
where:
bonds (distance) C4'-P energy: -30.197
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -30.940
flat angles P-C4'-P energy: -33.274
tors. eta vs tors. theta energy: -27.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -241.967306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.967306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.967306 (E_RNA)
where:
Base-Base interactions energy: -88.922
where: short stacking energy: -87.531
Base-Backbone interact. energy: 3.604
local terms energy: -156.649212
where:
bonds (distance) C4'-P energy: -42.548
bonds (distance) P-C4' energy: -39.217
flat angles C4'-P-C4' energy: -41.173
flat angles P-C4'-P energy: -20.798
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -221.767237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.767237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.767237 (E_RNA)
where:
Base-Base interactions energy: -111.224
where: short stacking energy: -63.011
Base-Backbone interact. energy: -1.571
local terms energy: -108.972107
where:
bonds (distance) C4'-P energy: -36.053
bonds (distance) P-C4' energy: -32.669
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -3.639
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: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -917.081221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.081221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.081221 (E_RNA)
where:
Base-Base interactions energy: -644.618
where: short stacking energy: -264.358
Base-Backbone interact. energy: -0.586
local terms energy: -271.878071
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -56.059
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -81.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -890.309508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.309508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.309508 (E_RNA)
where:
Base-Base interactions energy: -626.422
where: short stacking energy: -269.301
Base-Backbone interact. energy: -0.087
local terms energy: -263.801288
where:
bonds (distance) C4'-P energy: -44.344
bonds (distance) P-C4' energy: -43.951
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -36.754
tors. eta vs tors. theta energy: -83.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -867.501036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.501036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.501036 (E_RNA)
where:
Base-Base interactions energy: -619.674
where: short stacking energy: -270.048
Base-Backbone interact. energy: -0.292
local terms energy: -247.534634
where:
bonds (distance) C4'-P energy: -42.753
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -81.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -779.283116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.283116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.283116 (E_RNA)
where:
Base-Base interactions energy: -540.296
where: short stacking energy: -232.556
Base-Backbone interact. energy: -0.346
local terms energy: -238.640684
where:
bonds (distance) C4'-P energy: -42.953
bonds (distance) P-C4' energy: -45.587
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -32.399
tors. eta vs tors. theta energy: -66.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -743.129561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.129561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.129561 (E_RNA)
where:
Base-Base interactions energy: -510.464
where: short stacking energy: -226.638
Base-Backbone interact. energy: -0.500
local terms energy: -232.164851
where:
bonds (distance) C4'-P energy: -45.777
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -65.476
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: 3
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -712.036379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.036379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.036379 (E_RNA)
where:
Base-Base interactions energy: -486.643
where: short stacking energy: -205.067
Base-Backbone interact. energy: 2.955
local terms energy: -228.348592
where:
bonds (distance) C4'-P energy: -40.809
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -42.709
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -70.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -680.496925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.496925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.496925 (E_RNA)
where:
Base-Base interactions energy: -467.752
where: short stacking energy: -202.584
Base-Backbone interact. energy: -0.136
local terms energy: -212.608716
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -38.295
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -27.733
tors. eta vs tors. theta energy: -57.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -425.791879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.791879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.791879 (E_RNA)
where:
Base-Base interactions energy: -259.607
where: short stacking energy: -131.031
Base-Backbone interact. energy: -1.244
local terms energy: -164.941330
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -40.868
flat angles C4'-P-C4' energy: -35.844
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: -26.354
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: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -224.599568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.599568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.599568 (E_RNA)
where:
Base-Base interactions energy: -93.333
where: short stacking energy: -88.910
Base-Backbone interact. energy: -0.290
local terms energy: -130.977142
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -33.775
flat angles C4'-P-C4' energy: -38.813
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -240.900595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.900595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.900595 (E_RNA)
where:
Base-Base interactions energy: -113.161
where: short stacking energy: -68.234
Base-Backbone interact. energy: -0.917
local terms energy: -126.822238
where:
bonds (distance) C4'-P energy: -43.045
bonds (distance) P-C4' energy: -41.980
flat angles C4'-P-C4' energy: -27.951
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -899.838978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.838978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.838978 (E_RNA)
where:
Base-Base interactions energy: -632.591
where: short stacking energy: -261.393
Base-Backbone interact. energy: -0.013
local terms energy: -267.235363
where:
bonds (distance) C4'-P energy: -51.098
bonds (distance) P-C4' energy: -45.551
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -80.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -894.244233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.244233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.244233 (E_RNA)
where:
Base-Base interactions energy: -636.768
where: short stacking energy: -261.117
Base-Backbone interact. energy: -0.252
local terms energy: -257.224054
where:
bonds (distance) C4'-P energy: -42.577
bonds (distance) P-C4' energy: -45.007
flat angles C4'-P-C4' energy: -48.414
flat angles P-C4'-P energy: -43.638
tors. eta vs tors. theta energy: -77.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -872.529255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.529255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.529255 (E_RNA)
where:
Base-Base interactions energy: -631.535
where: short stacking energy: -268.418
Base-Backbone interact. energy: -0.337
local terms energy: -240.657369
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -47.331
flat angles C4'-P-C4' energy: -50.685
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -80.323
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: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -772.895763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.895763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.895763 (E_RNA)
where:
Base-Base interactions energy: -542.520
where: short stacking energy: -226.600
Base-Backbone interact. energy: -0.205
local terms energy: -230.170549
where:
bonds (distance) C4'-P energy: -34.494
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -52.288
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -64.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -751.677142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.677142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.677142 (E_RNA)
where:
Base-Base interactions energy: -526.845
where: short stacking energy: -208.667
Base-Backbone interact. energy: -1.553
local terms energy: -223.278674
where:
bonds (distance) C4'-P energy: -46.373
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -54.708
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: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -715.158688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.158688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.158688 (E_RNA)
where:
Base-Base interactions energy: -491.215
where: short stacking energy: -216.899
Base-Backbone interact. energy: 0.336
local terms energy: -224.279805
where:
bonds (distance) C4'-P energy: -43.659
bonds (distance) P-C4' energy: -44.514
flat angles C4'-P-C4' energy: -43.481
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: -64.337
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: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -672.489322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.489322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.489322 (E_RNA)
where:
Base-Base interactions energy: -473.541
where: short stacking energy: -191.523
Base-Backbone interact. energy: 1.871
local terms energy: -200.819564
where:
bonds (distance) C4'-P energy: -37.622
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -42.764
flat angles P-C4'-P energy: -27.079
tors. eta vs tors. theta energy: -54.621
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: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -422.948889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.948889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.948889 (E_RNA)
where:
Base-Base interactions energy: -261.895
where: short stacking energy: -143.862
Base-Backbone interact. energy: 1.495
local terms energy: -162.548929
where:
bonds (distance) C4'-P energy: -42.702
bonds (distance) P-C4' energy: -32.269
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -221.389183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.389183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.389183 (E_RNA)
where:
Base-Base interactions energy: -102.172
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.626
local terms energy: -118.590477
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -44.987
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: 5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -211.432872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.432872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.432872 (E_RNA)
where:
Base-Base interactions energy: -68.643
where: short stacking energy: -68.601
Base-Backbone interact. energy: -1.853
local terms energy: -140.936419
where:
bonds (distance) C4'-P energy: -42.757
bonds (distance) P-C4' energy: -43.083
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -909.274398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.274398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.274398 (E_RNA)
where:
Base-Base interactions energy: -635.975
where: short stacking energy: -276.797
Base-Backbone interact. energy: -0.009
local terms energy: -273.290367
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -44.795
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -44.750
tors. eta vs tors. theta energy: -82.899
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: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -905.796658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.796658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.796658 (E_RNA)
where:
Base-Base interactions energy: -645.251
where: short stacking energy: -263.817
Base-Backbone interact. energy: -0.211
local terms energy: -260.334771
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -39.646
tors. eta vs tors. theta energy: -79.593
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: 347
Temperature: 1.000000
Total energy: -869.722207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.722207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.722207 (E_RNA)
where:
Base-Base interactions energy: -610.878
where: short stacking energy: -262.951
Base-Backbone interact. energy: -0.612
local terms energy: -258.232000
where:
bonds (distance) C4'-P energy: -43.792
bonds (distance) P-C4' energy: -38.050
flat angles C4'-P-C4' energy: -52.212
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: -81.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -765.981021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.981021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.981021 (E_RNA)
where:
Base-Base interactions energy: -532.074
where: short stacking energy: -215.996
Base-Backbone interact. energy: -0.768
local terms energy: -233.139714
where:
bonds (distance) C4'-P energy: -47.049
bonds (distance) P-C4' energy: -42.218
flat angles C4'-P-C4' energy: -47.161
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: -60.022
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: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -737.420141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.420141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.420141 (E_RNA)
where:
Base-Base interactions energy: -506.349
where: short stacking energy: -216.205
Base-Backbone interact. energy: -0.600
local terms energy: -230.471307
where:
bonds (distance) C4'-P energy: -36.616
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -52.014
flat angles P-C4'-P energy: -39.167
tors. eta vs tors. theta energy: -68.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -705.114377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.114377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.114377 (E_RNA)
where:
Base-Base interactions energy: -485.711
where: short stacking energy: -224.861
Base-Backbone interact. energy: 1.630
local terms energy: -221.034299
where:
bonds (distance) C4'-P energy: -39.839
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -51.009
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -67.976
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: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -681.932514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.932514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.932514 (E_RNA)
where:
Base-Base interactions energy: -462.566
where: short stacking energy: -195.189
Base-Backbone interact. energy: -0.399
local terms energy: -218.967416
where:
bonds (distance) C4'-P energy: -31.497
bonds (distance) P-C4' energy: -40.657
flat angles C4'-P-C4' energy: -49.007
flat angles P-C4'-P energy: -37.196
tors. eta vs tors. theta energy: -60.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -431.894628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.894628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.894628 (E_RNA)
where:
Base-Base interactions energy: -254.346
where: short stacking energy: -127.156
Base-Backbone interact. energy: -1.298
local terms energy: -176.250442
where:
bonds (distance) C4'-P energy: -39.337
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -27.072
tors. eta vs tors. theta energy: -28.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -219.601974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.601974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.601974 (E_RNA)
where:
Base-Base interactions energy: -73.110
where: short stacking energy: -50.952
Base-Backbone interact. energy: 0.940
local terms energy: -147.432307
where:
bonds (distance) C4'-P energy: -44.006
bonds (distance) P-C4' energy: -50.855
flat angles C4'-P-C4' energy: -39.332
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -2.198
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: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -190.112022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.112022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.112022 (E_RNA)
where:
Base-Base interactions energy: -86.155
where: short stacking energy: -66.150
Base-Backbone interact. energy: 2.447
local terms energy: -106.403892
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: 2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -903.493322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.493322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.493322 (E_RNA)
where:
Base-Base interactions energy: -642.629
where: short stacking energy: -260.873
Base-Backbone interact. energy: -0.839
local terms energy: -260.025601
where:
bonds (distance) C4'-P energy: -51.537
bonds (distance) P-C4' energy: -36.292
flat angles C4'-P-C4' energy: -54.005
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -78.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -898.881211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.881211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.881211 (E_RNA)
where:
Base-Base interactions energy: -644.155
where: short stacking energy: -277.844
Base-Backbone interact. energy: -0.630
local terms energy: -254.096426
where:
bonds (distance) C4'-P energy: -48.205
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -32.180
tors. eta vs tors. theta energy: -80.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -884.973406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.973406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.973406 (E_RNA)
where:
Base-Base interactions energy: -630.133
where: short stacking energy: -271.789
Base-Backbone interact. energy: 0.144
local terms energy: -254.984701
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -54.798
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -78.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -774.354331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.354331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.354331 (E_RNA)
where:
Base-Base interactions energy: -546.255
where: short stacking energy: -227.467
Base-Backbone interact. energy: -2.320
local terms energy: -225.779315
where:
bonds (distance) C4'-P energy: -47.271
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -54.036
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -63.014
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: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -770.003478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.003478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.003478 (E_RNA)
where:
Base-Base interactions energy: -532.605
where: short stacking energy: -216.531
Base-Backbone interact. energy: -0.384
local terms energy: -237.013908
where:
bonds (distance) C4'-P energy: -43.976
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -50.563
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -68.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -733.169337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.169337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.169337 (E_RNA)
where:
Base-Base interactions energy: -504.794
where: short stacking energy: -238.103
Base-Backbone interact. energy: -0.619
local terms energy: -227.757141
where:
bonds (distance) C4'-P energy: -42.938
bonds (distance) P-C4' energy: -39.465
flat angles C4'-P-C4' energy: -48.674
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: -68.207
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: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -664.901890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.901890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.901890 (E_RNA)
where:
Base-Base interactions energy: -441.549
where: short stacking energy: -189.787
Base-Backbone interact. energy: -1.083
local terms energy: -222.270231
where:
bonds (distance) C4'-P energy: -39.172
bonds (distance) P-C4' energy: -46.791
flat angles C4'-P-C4' energy: -48.350
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -55.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -429.669831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.669831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.669831 (E_RNA)
where:
Base-Base interactions energy: -264.760
where: short stacking energy: -142.034
Base-Backbone interact. energy: -1.174
local terms energy: -163.736049
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -29.473
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: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -206.239710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.239710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.239710 (E_RNA)
where:
Base-Base interactions energy: -91.302
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.512
local terms energy: -114.425620
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -34.904
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: 6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -207.141142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.141142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.141142 (E_RNA)
where:
Base-Base interactions energy: -75.256
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.313
local terms energy: -131.572154
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -39.291
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: 4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -911.289786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.289786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.289786 (E_RNA)
where:
Base-Base interactions energy: -633.240
where: short stacking energy: -273.053
Base-Backbone interact. energy: -0.658
local terms energy: -277.392106
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -82.271
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: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -880.850362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.850362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.850362 (E_RNA)
where:
Base-Base interactions energy: -612.986
where: short stacking energy: -263.846
Base-Backbone interact. energy: -0.011
local terms energy: -267.853563
where:
bonds (distance) C4'-P energy: -44.591
bonds (distance) P-C4' energy: -41.078
flat angles C4'-P-C4' energy: -53.250
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -84.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -877.942028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.942028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.942028 (E_RNA)
where:
Base-Base interactions energy: -620.546
where: short stacking energy: -257.528
Base-Backbone interact. energy: -0.461
local terms energy: -256.935506
where:
bonds (distance) C4'-P energy: -43.062
bonds (distance) P-C4' energy: -40.614
flat angles C4'-P-C4' energy: -56.728
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -81.240
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: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -775.298941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.298941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.298941 (E_RNA)
where:
Base-Base interactions energy: -546.571
where: short stacking energy: -221.647
Base-Backbone interact. energy: 1.919
local terms energy: -230.647438
where:
bonds (distance) C4'-P energy: -42.918
bonds (distance) P-C4' energy: -46.595
flat angles C4'-P-C4' energy: -46.232
flat angles P-C4'-P energy: -29.936
tors. eta vs tors. theta energy: -64.967
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: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -754.268541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.268541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.268541 (E_RNA)
where:
Base-Base interactions energy: -518.915
where: short stacking energy: -226.556
Base-Backbone interact. energy: -1.267
local terms energy: -234.087226
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -55.726
flat angles P-C4'-P energy: -29.548
tors. eta vs tors. theta energy: -63.078
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: 349
Temperature: 1.150000
Total energy: -724.961850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.961850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.961850 (E_RNA)
where:
Base-Base interactions energy: -491.502
where: short stacking energy: -210.114
Base-Backbone interact. energy: -0.474
local terms energy: -232.985312
where:
bonds (distance) C4'-P energy: -43.910
bonds (distance) P-C4' energy: -33.964
flat angles C4'-P-C4' energy: -51.719
flat angles P-C4'-P energy: -36.531
tors. eta vs tors. theta energy: -66.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -672.788222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.788222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.788222 (E_RNA)
where:
Base-Base interactions energy: -480.672
where: short stacking energy: -188.847
Base-Backbone interact. energy: 0.557
local terms energy: -192.673896
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -43.750
flat angles P-C4'-P energy: -29.234
tors. eta vs tors. theta energy: -54.539
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: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -422.436506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.436506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.436506 (E_RNA)
where:
Base-Base interactions energy: -264.369
where: short stacking energy: -124.832
Base-Backbone interact. energy: 3.642
local terms energy: -161.709596
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -33.234
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -25.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -211.820777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.820777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.820777 (E_RNA)
where:
Base-Base interactions energy: -67.660
where: short stacking energy: -64.683
Base-Backbone interact. energy: -1.163
local terms energy: -142.997939
where:
bonds (distance) C4'-P energy: -50.726
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -37.906
flat angles P-C4'-P energy: -26.066
tors. eta vs tors. theta energy: 2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -187.024042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.024042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.024042 (E_RNA)
where:
Base-Base interactions energy: -53.471
where: short stacking energy: -40.611
Base-Backbone interact. energy: -1.463
local terms energy: -132.090250
where:
bonds (distance) C4'-P energy: -40.173
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -41.144
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: 12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -892.171521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.171521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.171521 (E_RNA)
where:
Base-Base interactions energy: -635.863
where: short stacking energy: -270.700
Base-Backbone interact. energy: -0.135
local terms energy: -256.173512
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -50.834
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -36.586
tors. eta vs tors. theta energy: -77.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -883.599130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.599130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.599130 (E_RNA)
where:
Base-Base interactions energy: -625.823
where: short stacking energy: -268.636
Base-Backbone interact. energy: -0.720
local terms energy: -257.055932
where:
bonds (distance) C4'-P energy: -43.219
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -56.012
flat angles P-C4'-P energy: -30.973
tors. eta vs tors. theta energy: -82.267
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: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -880.213870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.213870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.213870 (E_RNA)
where:
Base-Base interactions energy: -622.325
where: short stacking energy: -259.354
Base-Backbone interact. energy: -0.006
local terms energy: -257.883000
where:
bonds (distance) C4'-P energy: -45.154
bonds (distance) P-C4' energy: -37.467
flat angles C4'-P-C4' energy: -54.389
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: -84.458
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: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -759.173029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.173029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.173029 (E_RNA)
where:
Base-Base interactions energy: -531.519
where: short stacking energy: -210.911
Base-Backbone interact. energy: -1.160
local terms energy: -226.493309
where:
bonds (distance) C4'-P energy: -48.436
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -40.168
flat angles P-C4'-P energy: -36.964
tors. eta vs tors. theta energy: -56.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -716.834649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.834649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.834649 (E_RNA)
where:
Base-Base interactions energy: -489.609
where: short stacking energy: -223.677
Base-Backbone interact. energy: -0.046
local terms energy: -227.180292
where:
bonds (distance) C4'-P energy: -43.651
bonds (distance) P-C4' energy: -39.346
flat angles C4'-P-C4' energy: -46.037
flat angles P-C4'-P energy: -25.832
tors. eta vs tors. theta energy: -72.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -757.835213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.835213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.835213 (E_RNA)
where:
Base-Base interactions energy: -530.953
where: short stacking energy: -221.919
Base-Backbone interact. energy: 1.733
local terms energy: -228.615413
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -45.955
flat angles C4'-P-C4' energy: -50.420
flat angles P-C4'-P energy: -31.830
tors. eta vs tors. theta energy: -67.678
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: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -682.926864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.926864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.926864 (E_RNA)
where:
Base-Base interactions energy: -458.649
where: short stacking energy: -207.879
Base-Backbone interact. energy: -0.321
local terms energy: -223.957281
where:
bonds (distance) C4'-P energy: -43.404
bonds (distance) P-C4' energy: -41.785
flat angles C4'-P-C4' energy: -47.415
flat angles P-C4'-P energy: -32.059
tors. eta vs tors. theta energy: -59.294
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: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -435.054468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.054468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.054468 (E_RNA)
where:
Base-Base interactions energy: -280.491
where: short stacking energy: -133.459
Base-Backbone interact. energy: -0.587
local terms energy: -153.976594
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -32.659
flat angles C4'-P-C4' energy: -34.176
flat angles P-C4'-P energy: -28.206
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: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -204.990386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.990386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.990386 (E_RNA)
where:
Base-Base interactions energy: -65.491
where: short stacking energy: -64.549
Base-Backbone interact. energy: 1.834
local terms energy: -141.333248
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -35.844
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -255.595484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.595484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.595484 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -68.551
Base-Backbone interact. energy: 0.459
local terms energy: -125.219772
where:
bonds (distance) C4'-P energy: -44.019
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -17.834
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: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -910.920943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.920943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.920943 (E_RNA)
where:
Base-Base interactions energy: -650.374
where: short stacking energy: -272.262
Base-Backbone interact. energy: -0.831
local terms energy: -259.716455
where:
bonds (distance) C4'-P energy: -43.389
bonds (distance) P-C4' energy: -40.707
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -79.719
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: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -898.320638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.320638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.320638 (E_RNA)
where:
Base-Base interactions energy: -635.764
where: short stacking energy: -280.088
Base-Backbone interact. energy: -0.618
local terms energy: -261.938492
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -57.410
flat angles P-C4'-P energy: -32.000
tors. eta vs tors. theta energy: -90.382
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: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -872.876121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.876121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.876121 (E_RNA)
where:
Base-Base interactions energy: -609.896
where: short stacking energy: -258.897
Base-Backbone interact. energy: -0.847
local terms energy: -262.132747
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -51.328
flat angles C4'-P-C4' energy: -56.204
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -78.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -750.932589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.932589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.932589 (E_RNA)
where:
Base-Base interactions energy: -507.861
where: short stacking energy: -230.840
Base-Backbone interact. energy: -2.068
local terms energy: -241.003399
where:
bonds (distance) C4'-P energy: -40.181
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -44.171
flat angles P-C4'-P energy: -33.251
tors. eta vs tors. theta energy: -74.473
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: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -757.095152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.095152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.095152 (E_RNA)
where:
Base-Base interactions energy: -535.728
where: short stacking energy: -224.197
Base-Backbone interact. energy: -0.697
local terms energy: -220.669744
where:
bonds (distance) C4'-P energy: -46.353
bonds (distance) P-C4' energy: -33.933
flat angles C4'-P-C4' energy: -49.228
flat angles P-C4'-P energy: -25.184
tors. eta vs tors. theta energy: -65.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -722.874527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.874527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.874527 (E_RNA)
where:
Base-Base interactions energy: -497.700
where: short stacking energy: -209.855
Base-Backbone interact. energy: -0.014
local terms energy: -225.160474
where:
bonds (distance) C4'-P energy: -34.897
bonds (distance) P-C4' energy: -40.970
flat angles C4'-P-C4' energy: -47.945
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -64.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -672.683960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.683960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.683960 (E_RNA)
where:
Base-Base interactions energy: -466.389
where: short stacking energy: -208.656
Base-Backbone interact. energy: 0.027
local terms energy: -206.322030
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -60.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -438.289517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.289517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.289517 (E_RNA)
where:
Base-Base interactions energy: -292.281
where: short stacking energy: -138.761
Base-Backbone interact. energy: -0.057
local terms energy: -145.951127
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -20.240
tors. eta vs tors. theta energy: -29.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -213.193881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.193881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.193881 (E_RNA)
where:
Base-Base interactions energy: -91.818
where: short stacking energy: -58.465
Base-Backbone interact. energy: -0.757
local terms energy: -120.619368
where:
bonds (distance) C4'-P energy: -44.798
bonds (distance) P-C4' energy: -44.676
flat angles C4'-P-C4' energy: -26.321
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: 17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -308.020766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.020766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.020766 (E_RNA)
where:
Base-Base interactions energy: -171.188
where: short stacking energy: -97.758
Base-Backbone interact. energy: 3.410
local terms energy: -140.242561
where:
bonds (distance) C4'-P energy: -33.203
bonds (distance) P-C4' energy: -40.740
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -10.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -922.808940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.808940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.808940 (E_RNA)
where:
Base-Base interactions energy: -650.819
where: short stacking energy: -267.885
Base-Backbone interact. energy: -0.503
local terms energy: -271.487356
where:
bonds (distance) C4'-P energy: -43.930
bonds (distance) P-C4' energy: -46.353
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -82.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -884.420349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.420349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.420349 (E_RNA)
where:
Base-Base interactions energy: -625.467
where: short stacking energy: -254.340
Base-Backbone interact. energy: 0.558
local terms energy: -259.512007
where:
bonds (distance) C4'-P energy: -41.650
bonds (distance) P-C4' energy: -43.316
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -78.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -869.701674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.701674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.701674 (E_RNA)
where:
Base-Base interactions energy: -610.446
where: short stacking energy: -258.427
Base-Backbone interact. energy: -0.868
local terms energy: -258.387746
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -51.745
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -30.768
tors. eta vs tors. theta energy: -76.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -748.557727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.557727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.557727 (E_RNA)
where:
Base-Base interactions energy: -511.549
where: short stacking energy: -219.798
Base-Backbone interact. energy: 0.071
local terms energy: -237.079750
where:
bonds (distance) C4'-P energy: -40.551
bonds (distance) P-C4' energy: -37.546
flat angles C4'-P-C4' energy: -53.840
flat angles P-C4'-P energy: -35.000
tors. eta vs tors. theta energy: -70.143
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: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -720.790221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.790221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.790221 (E_RNA)
where:
Base-Base interactions energy: -494.054
where: short stacking energy: -220.285
Base-Backbone interact. energy: -0.779
local terms energy: -225.956894
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -41.511
flat angles C4'-P-C4' energy: -47.346
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -67.163
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: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -736.200786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.200786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.200786 (E_RNA)
where:
Base-Base interactions energy: -501.297
where: short stacking energy: -208.271
Base-Backbone interact. energy: -0.698
local terms energy: -234.205766
where:
bonds (distance) C4'-P energy: -41.350
bonds (distance) P-C4' energy: -47.847
flat angles C4'-P-C4' energy: -51.742
flat angles P-C4'-P energy: -34.509
tors. eta vs tors. theta energy: -58.758
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: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -656.631452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.631452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.631452 (E_RNA)
where:
Base-Base interactions energy: -448.511
where: short stacking energy: -183.806
Base-Backbone interact. energy: -1.030
local terms energy: -207.090079
where:
bonds (distance) C4'-P energy: -34.007
bonds (distance) P-C4' energy: -40.932
flat angles C4'-P-C4' energy: -49.901
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -49.586
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: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -458.000609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.000609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.000609 (E_RNA)
where:
Base-Base interactions energy: -284.625
where: short stacking energy: -132.694
Base-Backbone interact. energy: 3.357
local terms energy: -176.732792
where:
bonds (distance) C4'-P energy: -47.291
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -41.416
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -26.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -339.170555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.170555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.170555 (E_RNA)
where:
Base-Base interactions energy: -193.911
where: short stacking energy: -103.756
Base-Backbone interact. energy: 0.145
local terms energy: -145.404659
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -38.681
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -202.747442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.747442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.747442 (E_RNA)
where:
Base-Base interactions energy: -76.659
where: short stacking energy: -66.530
Base-Backbone interact. energy: 2.108
local terms energy: -128.196335
where:
bonds (distance) C4'-P energy: -41.030
bonds (distance) P-C4' energy: -41.454
flat angles C4'-P-C4' energy: -38.858
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: 10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -918.723791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.723791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.723791 (E_RNA)
where:
Base-Base interactions energy: -644.367
where: short stacking energy: -280.853
Base-Backbone interact. energy: -0.111
local terms energy: -274.245271
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -43.736
flat angles C4'-P-C4' energy: -60.478
flat angles P-C4'-P energy: -39.762
tors. eta vs tors. theta energy: -87.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -900.119770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.119770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.119770 (E_RNA)
where:
Base-Base interactions energy: -640.660
where: short stacking energy: -266.186
Base-Backbone interact. energy: -0.635
local terms energy: -258.824026
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -40.260
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -81.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -872.767622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.767622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.767622 (E_RNA)
where:
Base-Base interactions energy: -611.158
where: short stacking energy: -261.967
Base-Backbone interact. energy: -0.579
local terms energy: -261.030514
where:
bonds (distance) C4'-P energy: -45.322
bonds (distance) P-C4' energy: -40.559
flat angles C4'-P-C4' energy: -55.542
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -81.107
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: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -777.314460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.314460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.314460 (E_RNA)
where:
Base-Base interactions energy: -543.235
where: short stacking energy: -228.894
Base-Backbone interact. energy: 0.040
local terms energy: -234.119322
where:
bonds (distance) C4'-P energy: -46.541
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -49.504
flat angles P-C4'-P energy: -31.450
tors. eta vs tors. theta energy: -67.464
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: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -731.583495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.583495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.583495 (E_RNA)
where:
Base-Base interactions energy: -507.945
where: short stacking energy: -219.482
Base-Backbone interact. energy: -0.267
local terms energy: -223.371542
where:
bonds (distance) C4'-P energy: -37.432
bonds (distance) P-C4' energy: -39.115
flat angles C4'-P-C4' energy: -46.910
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -63.215
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: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -689.698540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.698540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.698540 (E_RNA)
where:
Base-Base interactions energy: -458.881
where: short stacking energy: -215.272
Base-Backbone interact. energy: -0.263
local terms energy: -230.554066
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -43.770
flat angles C4'-P-C4' energy: -46.376
flat angles P-C4'-P energy: -37.411
tors. eta vs tors. theta energy: -62.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -726.539687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.539687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.539687 (E_RNA)
where:
Base-Base interactions energy: -499.162
where: short stacking energy: -222.534
Base-Backbone interact. energy: -0.687
local terms energy: -226.690923
where:
bonds (distance) C4'-P energy: -36.611
bonds (distance) P-C4' energy: -39.696
flat angles C4'-P-C4' energy: -52.600
flat angles P-C4'-P energy: -38.443
tors. eta vs tors. theta energy: -59.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -475.928900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.928900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.928900 (E_RNA)
where:
Base-Base interactions energy: -301.074
where: short stacking energy: -147.266
Base-Backbone interact. energy: -0.424
local terms energy: -174.430392
where:
bonds (distance) C4'-P energy: -27.694
bonds (distance) P-C4' energy: -42.165
flat angles C4'-P-C4' energy: -45.406
flat angles P-C4'-P energy: -21.039
tors. eta vs tors. theta energy: -38.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -355.021951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.021951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.021951 (E_RNA)
where:
Base-Base interactions energy: -196.181
where: short stacking energy: -115.813
Base-Backbone interact. energy: -1.428
local terms energy: -157.413699
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -34.816
flat angles C4'-P-C4' energy: -40.420
flat angles P-C4'-P energy: -33.727
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -198.403802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.403802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.403802 (E_RNA)
where:
Base-Base interactions energy: -80.277
where: short stacking energy: -49.202
Base-Backbone interact. energy: -0.963
local terms energy: -117.163336
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -28.802
flat angles C4'-P-C4' energy: -35.808
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -913.691504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.691504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.691504 (E_RNA)
where:
Base-Base interactions energy: -646.283
where: short stacking energy: -274.452
Base-Backbone interact. energy: -0.476
local terms energy: -266.932585
where:
bonds (distance) C4'-P energy: -47.416
bonds (distance) P-C4' energy: -49.668
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -35.374
tors. eta vs tors. theta energy: -82.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -892.719270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.719270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.719270 (E_RNA)
where:
Base-Base interactions energy: -628.385
where: short stacking energy: -257.405
Base-Backbone interact. energy: -0.044
local terms energy: -264.289720
where:
bonds (distance) C4'-P energy: -47.598
bonds (distance) P-C4' energy: -42.944
flat angles C4'-P-C4' energy: -50.760
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -78.370
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: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -882.300505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.300505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.300505 (E_RNA)
where:
Base-Base interactions energy: -620.903
where: short stacking energy: -261.062
Base-Backbone interact. energy: -0.005
local terms energy: -261.391993
where:
bonds (distance) C4'-P energy: -46.868
bonds (distance) P-C4' energy: -44.673
flat angles C4'-P-C4' energy: -54.213
flat angles P-C4'-P energy: -31.877
tors. eta vs tors. theta energy: -83.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -777.247150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.247150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.247150 (E_RNA)
where:
Base-Base interactions energy: -536.054
where: short stacking energy: -228.235
Base-Backbone interact. energy: -0.241
local terms energy: -240.952110
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -50.618
flat angles P-C4'-P energy: -35.459
tors. eta vs tors. theta energy: -71.011
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: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -743.100697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.100697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.100697 (E_RNA)
where:
Base-Base interactions energy: -503.140
where: short stacking energy: -212.037
Base-Backbone interact. energy: -1.129
local terms energy: -238.831129
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -48.154
flat angles C4'-P-C4' energy: -53.294
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -69.729
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: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -693.121527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.121527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.121527 (E_RNA)
where:
Base-Base interactions energy: -485.216
where: short stacking energy: -218.668
Base-Backbone interact. energy: 2.690
local terms energy: -210.595687
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -36.485
flat angles C4'-P-C4' energy: -48.668
flat angles P-C4'-P energy: -32.080
tors. eta vs tors. theta energy: -61.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -712.035070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.035070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.035070 (E_RNA)
where:
Base-Base interactions energy: -500.271
where: short stacking energy: -213.374
Base-Backbone interact. energy: 0.045
local terms energy: -211.808663
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -32.948
flat angles C4'-P-C4' energy: -46.833
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -63.243
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: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -429.622974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.622974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.622974 (E_RNA)
where:
Base-Base interactions energy: -255.570
where: short stacking energy: -143.841
Base-Backbone interact. energy: -0.234
local terms energy: -173.818385
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -34.402
flat angles C4'-P-C4' energy: -43.059
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -35.804
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: 354
Temperature: 1.300000
Total energy: -340.164902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.164902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.164902 (E_RNA)
where:
Base-Base interactions energy: -156.686
where: short stacking energy: -89.641
Base-Backbone interact. energy: -0.665
local terms energy: -182.814062
where:
bonds (distance) C4'-P energy: -50.750
bonds (distance) P-C4' energy: -44.258
flat angles C4'-P-C4' energy: -44.929
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -205.943221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.943221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.943221 (E_RNA)
where:
Base-Base interactions energy: -73.933
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.446
local terms energy: -131.564966
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -44.886
flat angles C4'-P-C4' energy: -39.853
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: 4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -906.825076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.825076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.825076 (E_RNA)
where:
Base-Base interactions energy: -640.488
where: short stacking energy: -269.092
Base-Backbone interact. energy: -1.697
local terms energy: -264.640855
where:
bonds (distance) C4'-P energy: -46.844
bonds (distance) P-C4' energy: -44.008
flat angles C4'-P-C4' energy: -52.349
flat angles P-C4'-P energy: -40.032
tors. eta vs tors. theta energy: -81.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -898.336359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.336359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.336359 (E_RNA)
where:
Base-Base interactions energy: -631.704
where: short stacking energy: -264.671
Base-Backbone interact. energy: -0.111
local terms energy: -266.521519
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -49.848
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -81.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -890.211961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.211961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.211961 (E_RNA)
where:
Base-Base interactions energy: -628.955
where: short stacking energy: -268.019
Base-Backbone interact. energy: -0.424
local terms energy: -260.833244
where:
bonds (distance) C4'-P energy: -45.502
bonds (distance) P-C4' energy: -46.516
flat angles C4'-P-C4' energy: -53.629
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: -82.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -791.475934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.475934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.475934 (E_RNA)
where:
Base-Base interactions energy: -539.383
where: short stacking energy: -233.778
Base-Backbone interact. energy: -1.268
local terms energy: -250.824186
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -45.488
flat angles C4'-P-C4' energy: -52.778
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -70.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -753.514474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.514474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.514474 (E_RNA)
where:
Base-Base interactions energy: -524.021
where: short stacking energy: -234.192
Base-Backbone interact. energy: -0.920
local terms energy: -228.573025
where:
bonds (distance) C4'-P energy: -46.503
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -24.583
tors. eta vs tors. theta energy: -72.340
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: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -725.915305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.915305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.915305 (E_RNA)
where:
Base-Base interactions energy: -502.925
where: short stacking energy: -211.981
Base-Backbone interact. energy: -1.292
local terms energy: -221.697619
where:
bonds (distance) C4'-P energy: -45.228
bonds (distance) P-C4' energy: -42.808
flat angles C4'-P-C4' energy: -41.277
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -57.309
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: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -682.362947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.362947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.362947 (E_RNA)
where:
Base-Base interactions energy: -482.662
where: short stacking energy: -185.876
Base-Backbone interact. energy: 2.602
local terms energy: -202.302124
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -36.138
flat angles C4'-P-C4' energy: -50.754
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -48.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -430.883965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.883965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.883965 (E_RNA)
where:
Base-Base interactions energy: -263.902
where: short stacking energy: -127.298
Base-Backbone interact. energy: -0.322
local terms energy: -166.660007
where:
bonds (distance) C4'-P energy: -39.641
bonds (distance) P-C4' energy: -41.065
flat angles C4'-P-C4' energy: -32.722
flat angles P-C4'-P energy: -30.569
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -304.791627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.791627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.791627 (E_RNA)
where:
Base-Base interactions energy: -163.421
where: short stacking energy: -82.140
Base-Backbone interact. energy: -0.641
local terms energy: -140.729022
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -42.571
flat angles C4'-P-C4' energy: -38.816
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -198.516961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.516961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.516961 (E_RNA)
where:
Base-Base interactions energy: -73.055
where: short stacking energy: -58.746
Base-Backbone interact. energy: 0.883
local terms energy: -126.345565
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: 2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -926.902525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.902525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.902525 (E_RNA)
where:
Base-Base interactions energy: -661.615
where: short stacking energy: -279.287
Base-Backbone interact. energy: -0.061
local terms energy: -265.226176
where:
bonds (distance) C4'-P energy: -44.769
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -85.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -904.916480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.916480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.916480 (E_RNA)
where:
Base-Base interactions energy: -642.918
where: short stacking energy: -271.622
Base-Backbone interact. energy: -0.306
local terms energy: -261.692077
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -42.864
flat angles C4'-P-C4' energy: -54.056
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -82.402
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: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -874.010454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.010454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.010454 (E_RNA)
where:
Base-Base interactions energy: -608.867
where: short stacking energy: -256.006
Base-Backbone interact. energy: -0.023
local terms energy: -265.121220
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -47.918
flat angles C4'-P-C4' energy: -46.517
flat angles P-C4'-P energy: -40.544
tors. eta vs tors. theta energy: -84.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -779.360013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.360013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.360013 (E_RNA)
where:
Base-Base interactions energy: -542.683
where: short stacking energy: -226.066
Base-Backbone interact. energy: -0.351
local terms energy: -236.326163
where:
bonds (distance) C4'-P energy: -39.202
bonds (distance) P-C4' energy: -44.151
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -67.865
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: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -758.294514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.294514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.294514 (E_RNA)
where:
Base-Base interactions energy: -517.742
where: short stacking energy: -215.147
Base-Backbone interact. energy: 1.054
local terms energy: -241.606487
where:
bonds (distance) C4'-P energy: -49.341
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -48.111
flat angles P-C4'-P energy: -39.291
tors. eta vs tors. theta energy: -61.463
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -746.934056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.934056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.934056 (E_RNA)
where:
Base-Base interactions energy: -501.135
where: short stacking energy: -211.298
Base-Backbone interact. energy: -1.278
local terms energy: -244.521579
where:
bonds (distance) C4'-P energy: -39.396
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -31.048
tors. eta vs tors. theta energy: -73.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -671.067059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.067059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.067059 (E_RNA)
where:
Base-Base interactions energy: -454.521
where: short stacking energy: -197.424
Base-Backbone interact. energy: 0.295
local terms energy: -216.841356
where:
bonds (distance) C4'-P energy: -43.274
bonds (distance) P-C4' energy: -43.441
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -52.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -431.041845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.041845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.041845 (E_RNA)
where:
Base-Base interactions energy: -270.442
where: short stacking energy: -128.333
Base-Backbone interact. energy: -0.351
local terms energy: -160.248737
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -43.088
flat angles P-C4'-P energy: -27.069
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -308.582495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.582495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.582495 (E_RNA)
where:
Base-Base interactions energy: -166.984
where: short stacking energy: -97.286
Base-Backbone interact. energy: 6.612
local terms energy: -148.210950
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -45.117
flat angles C4'-P-C4' energy: -37.825
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -203.099426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.099426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.099426 (E_RNA)
where:
Base-Base interactions energy: -74.176
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.360
local terms energy: -128.564006
where:
bonds (distance) C4'-P energy: -43.480
bonds (distance) P-C4' energy: -37.907
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -23.251
tors. eta vs tors. theta energy: 4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -914.508860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.508860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.508860 (E_RNA)
where:
Base-Base interactions energy: -644.506
where: short stacking energy: -273.143
Base-Backbone interact. energy: -0.624
local terms energy: -269.379389
where:
bonds (distance) C4'-P energy: -44.633
bonds (distance) P-C4' energy: -46.734
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -40.321
tors. eta vs tors. theta energy: -84.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -896.236764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.236764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.236764 (E_RNA)
where:
Base-Base interactions energy: -627.048
where: short stacking energy: -261.246
Base-Backbone interact. energy: -1.560
local terms energy: -267.628550
where:
bonds (distance) C4'-P energy: -45.758
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -54.550
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -80.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -877.570607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.570607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.570607 (E_RNA)
where:
Base-Base interactions energy: -623.945
where: short stacking energy: -265.180
Base-Backbone interact. energy: -0.426
local terms energy: -253.198948
where:
bonds (distance) C4'-P energy: -39.474
bonds (distance) P-C4' energy: -42.275
flat angles C4'-P-C4' energy: -51.011
flat angles P-C4'-P energy: -41.087
tors. eta vs tors. theta energy: -79.352
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: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -787.584507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.584507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.584507 (E_RNA)
where:
Base-Base interactions energy: -547.052
where: short stacking energy: -229.792
Base-Backbone interact. energy: -0.127
local terms energy: -240.405348
where:
bonds (distance) C4'-P energy: -41.245
bonds (distance) P-C4' energy: -42.198
flat angles C4'-P-C4' energy: -48.135
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -71.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -748.713690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.713690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.713690 (E_RNA)
where:
Base-Base interactions energy: -507.167
where: short stacking energy: -204.392
Base-Backbone interact. energy: -1.164
local terms energy: -240.382645
where:
bonds (distance) C4'-P energy: -44.895
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -34.342
tors. eta vs tors. theta energy: -65.882
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: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -704.846519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.846519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.846519 (E_RNA)
where:
Base-Base interactions energy: -484.370
where: short stacking energy: -215.925
Base-Backbone interact. energy: -0.193
local terms energy: -220.283992
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -44.203
flat angles P-C4'-P energy: -30.213
tors. eta vs tors. theta energy: -63.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -679.325909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.325909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.325909 (E_RNA)
where:
Base-Base interactions energy: -483.050
where: short stacking energy: -208.250
Base-Backbone interact. energy: -1.655
local terms energy: -194.620126
where:
bonds (distance) C4'-P energy: -37.621
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -44.198
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -58.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -414.820051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.820051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.820051 (E_RNA)
where:
Base-Base interactions energy: -243.237
where: short stacking energy: -111.297
Base-Backbone interact. energy: -0.308
local terms energy: -171.274976
where:
bonds (distance) C4'-P energy: -40.476
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -44.758
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -19.230
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: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -318.566841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.566841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.566841 (E_RNA)
where:
Base-Base interactions energy: -175.750
where: short stacking energy: -110.907
Base-Backbone interact. energy: -1.591
local terms energy: -141.226298
where:
bonds (distance) C4'-P energy: -37.978
bonds (distance) P-C4' energy: -37.379
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -194.926722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.926722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.926722 (E_RNA)
where:
Base-Base interactions energy: -67.055
where: short stacking energy: -62.183
Base-Backbone interact. energy: 0.190
local terms energy: -128.061765
where:
bonds (distance) C4'-P energy: -43.339
bonds (distance) P-C4' energy: -37.786
flat angles C4'-P-C4' energy: -33.168
flat angles P-C4'-P energy: -18.724
tors. eta vs tors. theta energy: 4.955
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: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -915.022651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.022651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.022651 (E_RNA)
where:
Base-Base interactions energy: -638.677
where: short stacking energy: -277.252
Base-Backbone interact. energy: -0.179
local terms energy: -276.166684
where:
bonds (distance) C4'-P energy: -49.322
bonds (distance) P-C4' energy: -48.202
flat angles C4'-P-C4' energy: -51.928
flat angles P-C4'-P energy: -40.916
tors. eta vs tors. theta energy: -85.798
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: -903.968546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.968546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.968546 (E_RNA)
where:
Base-Base interactions energy: -636.993
where: short stacking energy: -270.637
Base-Backbone interact. energy: -1.169
local terms energy: -265.806279
where:
bonds (distance) C4'-P energy: -48.657
bonds (distance) P-C4' energy: -46.676
flat angles C4'-P-C4' energy: -50.700
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -86.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -873.989650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.989650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.989650 (E_RNA)
where:
Base-Base interactions energy: -616.183
where: short stacking energy: -258.362
Base-Backbone interact. energy: -0.044
local terms energy: -257.761961
where:
bonds (distance) C4'-P energy: -46.629
bonds (distance) P-C4' energy: -37.159
flat angles C4'-P-C4' energy: -53.518
flat angles P-C4'-P energy: -38.549
tors. eta vs tors. theta energy: -81.906
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: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -778.784944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.784944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.784944 (E_RNA)
where:
Base-Base interactions energy: -544.614
where: short stacking energy: -228.369
Base-Backbone interact. energy: -0.055
local terms energy: -234.116180
where:
bonds (distance) C4'-P energy: -46.682
bonds (distance) P-C4' energy: -45.873
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -66.583
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: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -733.369377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.369377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.369377 (E_RNA)
where:
Base-Base interactions energy: -500.705
where: short stacking energy: -202.561
Base-Backbone interact. energy: 0.342
local terms energy: -233.006642
where:
bonds (distance) C4'-P energy: -45.634
bonds (distance) P-C4' energy: -45.212
flat angles C4'-P-C4' energy: -47.733
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -59.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -700.141838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.141838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.141838 (E_RNA)
where:
Base-Base interactions energy: -492.927
where: short stacking energy: -201.509
Base-Backbone interact. energy: -0.505
local terms energy: -206.709787
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -37.536
flat angles C4'-P-C4' energy: -42.343
flat angles P-C4'-P energy: -33.868
tors. eta vs tors. theta energy: -61.512
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: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -674.689053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.689053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.689053 (E_RNA)
where:
Base-Base interactions energy: -476.877
where: short stacking energy: -202.747
Base-Backbone interact. energy: -0.858
local terms energy: -196.954214
where:
bonds (distance) C4'-P energy: -44.408
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -41.054
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: -56.800
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -395.465134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.465134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.465134 (E_RNA)
where:
Base-Base interactions energy: -225.377
where: short stacking energy: -124.280
Base-Backbone interact. energy: 1.054
local terms energy: -171.142239
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -47.348
flat angles P-C4'-P energy: -22.088
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: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -284.061831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.061831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.061831 (E_RNA)
where:
Base-Base interactions energy: -141.699
where: short stacking energy: -100.062
Base-Backbone interact. energy: -0.086
local terms energy: -142.276932
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -39.677
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -207.364583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.364583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.364583 (E_RNA)
where:
Base-Base interactions energy: -79.630
where: short stacking energy: -75.047
Base-Backbone interact. energy: 2.994
local terms energy: -130.728354
where:
bonds (distance) C4'-P energy: -40.000
bonds (distance) P-C4' energy: -41.388
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -901.308441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.308441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.308441 (E_RNA)
where:
Base-Base interactions energy: -627.028
where: short stacking energy: -261.286
Base-Backbone interact. energy: -0.047
local terms energy: -274.232903
where:
bonds (distance) C4'-P energy: -45.606
bonds (distance) P-C4' energy: -51.919
flat angles C4'-P-C4' energy: -52.653
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -82.271
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: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -898.275060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.275060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.275060 (E_RNA)
where:
Base-Base interactions energy: -622.062
where: short stacking energy: -264.783
Base-Backbone interact. energy: -0.821
local terms energy: -275.392498
where:
bonds (distance) C4'-P energy: -46.053
bonds (distance) P-C4' energy: -52.238
flat angles C4'-P-C4' energy: -51.216
flat angles P-C4'-P energy: -41.748
tors. eta vs tors. theta energy: -84.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -880.863371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.863371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.863371 (E_RNA)
where:
Base-Base interactions energy: -619.038
where: short stacking energy: -261.263
Base-Backbone interact. energy: -0.418
local terms energy: -261.407451
where:
bonds (distance) C4'-P energy: -45.797
bonds (distance) P-C4' energy: -49.958
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: -76.834
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: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -782.045488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.045488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.045488 (E_RNA)
where:
Base-Base interactions energy: -545.675
where: short stacking energy: -239.577
Base-Backbone interact. energy: -0.553
local terms energy: -235.817274
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -39.389
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -35.421
tors. eta vs tors. theta energy: -70.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -741.746203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.746203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.746203 (E_RNA)
where:
Base-Base interactions energy: -517.796
where: short stacking energy: -210.249
Base-Backbone interact. energy: -0.896
local terms energy: -223.054006
where:
bonds (distance) C4'-P energy: -47.717
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -61.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -671.553856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.553856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.553856 (E_RNA)
where:
Base-Base interactions energy: -465.408
where: short stacking energy: -202.987
Base-Backbone interact. energy: 0.768
local terms energy: -206.913446
where:
bonds (distance) C4'-P energy: -34.322
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -48.897
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -48.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -689.058889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.058889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.058889 (E_RNA)
where:
Base-Base interactions energy: -473.878
where: short stacking energy: -214.782
Base-Backbone interact. energy: -1.381
local terms energy: -213.800396
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -43.364
flat angles C4'-P-C4' energy: -43.313
flat angles P-C4'-P energy: -23.612
tors. eta vs tors. theta energy: -71.898
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: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -398.162283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.162283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.162283 (E_RNA)
where:
Base-Base interactions energy: -237.076
where: short stacking energy: -118.060
Base-Backbone interact. energy: -1.661
local terms energy: -159.426140
where:
bonds (distance) C4'-P energy: -36.329
bonds (distance) P-C4' energy: -39.333
flat angles C4'-P-C4' energy: -45.232
flat angles P-C4'-P energy: -23.109
tors. eta vs tors. theta energy: -15.423
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: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -246.237443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.237443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.237443 (E_RNA)
where:
Base-Base interactions energy: -112.270
where: short stacking energy: -75.018
Base-Backbone interact. energy: 1.802
local terms energy: -135.768845
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -32.263
flat angles C4'-P-C4' energy: -45.514
flat angles P-C4'-P energy: -24.988
tors. eta vs tors. theta energy: 4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -226.804952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.804952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.804952 (E_RNA)
where:
Base-Base interactions energy: -95.904
where: short stacking energy: -70.099
Base-Backbone interact. energy: 1.001
local terms energy: -131.901159
where:
bonds (distance) C4'-P energy: -44.484
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -34.029
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: 4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -903.490358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.490358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.490358 (E_RNA)
where:
Base-Base interactions energy: -632.080
where: short stacking energy: -265.811
Base-Backbone interact. energy: -0.004
local terms energy: -271.405853
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -43.471
flat angles C4'-P-C4' energy: -53.398
flat angles P-C4'-P energy: -39.154
tors. eta vs tors. theta energy: -84.427
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: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -888.258642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.258642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.258642 (E_RNA)
where:
Base-Base interactions energy: -628.896
where: short stacking energy: -263.811
Base-Backbone interact. energy: 0.523
local terms energy: -259.886038
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -50.532
flat angles P-C4'-P energy: -37.438
tors. eta vs tors. theta energy: -83.346
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: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -893.591309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.591309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.591309 (E_RNA)
where:
Base-Base interactions energy: -627.311
where: short stacking energy: -263.060
Base-Backbone interact. energy: -0.286
local terms energy: -265.994285
where:
bonds (distance) C4'-P energy: -43.559
bonds (distance) P-C4' energy: -45.251
flat angles C4'-P-C4' energy: -54.601
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -82.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -765.115718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.115718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.115718 (E_RNA)
where:
Base-Base interactions energy: -534.729
where: short stacking energy: -215.470
Base-Backbone interact. energy: -0.115
local terms energy: -230.271117
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -46.791
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: -62.957
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: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -749.453109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.453109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.453109 (E_RNA)
where:
Base-Base interactions energy: -521.791
where: short stacking energy: -208.029
Base-Backbone interact. energy: -0.984
local terms energy: -226.678163
where:
bonds (distance) C4'-P energy: -45.990
bonds (distance) P-C4' energy: -36.486
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -59.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -679.289865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.289865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.289865 (E_RNA)
where:
Base-Base interactions energy: -463.587
where: short stacking energy: -188.486
Base-Backbone interact. energy: -1.232
local terms energy: -214.471027
where:
bonds (distance) C4'-P energy: -40.028
bonds (distance) P-C4' energy: -42.719
flat angles C4'-P-C4' energy: -46.077
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -59.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -670.258947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.258947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.258947 (E_RNA)
where:
Base-Base interactions energy: -451.452
where: short stacking energy: -186.408
Base-Backbone interact. energy: -0.446
local terms energy: -218.361232
where:
bonds (distance) C4'-P energy: -34.373
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -42.150
flat angles P-C4'-P energy: -30.606
tors. eta vs tors. theta energy: -64.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -409.642403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.642403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.642403 (E_RNA)
where:
Base-Base interactions energy: -237.154
where: short stacking energy: -116.618
Base-Backbone interact. energy: 0.780
local terms energy: -173.268438
where:
bonds (distance) C4'-P energy: -43.958
bonds (distance) P-C4' energy: -41.734
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -28.975
tors. eta vs tors. theta energy: -22.808
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: 360
Temperature: 1.300000
Total energy: -254.471577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.471577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.471577 (E_RNA)
where:
Base-Base interactions energy: -121.522
where: short stacking energy: -75.377
Base-Backbone interact. energy: -0.547
local terms energy: -132.403022
where:
bonds (distance) C4'-P energy: -40.186
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -210.895376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.895376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.895376 (E_RNA)
where:
Base-Base interactions energy: -82.415
where: short stacking energy: -58.728
Base-Backbone interact. energy: 0.570
local terms energy: -129.050128
where:
bonds (distance) C4'-P energy: -36.064
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -24.093
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -896.457156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.457156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.457156 (E_RNA)
where:
Base-Base interactions energy: -636.063
where: short stacking energy: -275.103
Base-Backbone interact. energy: -0.061
local terms energy: -260.333415
where:
bonds (distance) C4'-P energy: -43.676
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -54.233
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: -84.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -901.203697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.203697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.203697 (E_RNA)
where:
Base-Base interactions energy: -642.577
where: short stacking energy: -265.405
Base-Backbone interact. energy: -0.060
local terms energy: -258.566509
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -56.429
flat angles P-C4'-P energy: -35.649
tors. eta vs tors. theta energy: -82.196
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -885.269661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.269661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.269661 (E_RNA)
where:
Base-Base interactions energy: -627.577
where: short stacking energy: -270.598
Base-Backbone interact. energy: -1.709
local terms energy: -255.984000
where:
bonds (distance) C4'-P energy: -46.427
bonds (distance) P-C4' energy: -36.954
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -82.293
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: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -775.773387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.773387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.773387 (E_RNA)
where:
Base-Base interactions energy: -534.109
where: short stacking energy: -228.784
Base-Backbone interact. energy: -0.642
local terms energy: -241.022431
where:
bonds (distance) C4'-P energy: -46.294
bonds (distance) P-C4' energy: -39.750
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -68.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -744.629024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.629024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.629024 (E_RNA)
where:
Base-Base interactions energy: -540.107
where: short stacking energy: -206.301
Base-Backbone interact. energy: -0.538
local terms energy: -203.984864
where:
bonds (distance) C4'-P energy: -35.499
bonds (distance) P-C4' energy: -30.306
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -30.150
tors. eta vs tors. theta energy: -56.485
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: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -695.705712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.705712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.705712 (E_RNA)
where:
Base-Base interactions energy: -466.476
where: short stacking energy: -204.094
Base-Backbone interact. energy: -0.969
local terms energy: -228.260763
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -53.535
flat angles C4'-P-C4' energy: -44.489
flat angles P-C4'-P energy: -27.087
tors. eta vs tors. theta energy: -57.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -622.391547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.391547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.391547 (E_RNA)
where:
Base-Base interactions energy: -437.450
where: short stacking energy: -187.106
Base-Backbone interact. energy: 2.254
local terms energy: -187.195503
where:
bonds (distance) C4'-P energy: -38.451
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -40.488
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -57.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -399.792382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.792382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.792382 (E_RNA)
where:
Base-Base interactions energy: -229.448
where: short stacking energy: -108.487
Base-Backbone interact. energy: -0.903
local terms energy: -169.440725
where:
bonds (distance) C4'-P energy: -39.667
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -47.258
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -21.401
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: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -244.244361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.244361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.244361 (E_RNA)
where:
Base-Base interactions energy: -117.691
where: short stacking energy: -84.631
Base-Backbone interact. energy: 1.748
local terms energy: -128.301371
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -45.846
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -194.170019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.170019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.170019 (E_RNA)
where:
Base-Base interactions energy: -80.803
where: short stacking energy: -72.159
Base-Backbone interact. energy: -0.314
local terms energy: -113.052579
where:
bonds (distance) C4'-P energy: -39.718
bonds (distance) P-C4' energy: -26.556
flat angles C4'-P-C4' energy: -36.198
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: 0.828
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: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -919.859397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.859397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.859397 (E_RNA)
where:
Base-Base interactions energy: -643.973
where: short stacking energy: -265.534
Base-Backbone interact. energy: -0.142
local terms energy: -275.745153
where:
bonds (distance) C4'-P energy: -44.991
bonds (distance) P-C4' energy: -47.625
flat angles C4'-P-C4' energy: -55.520
flat angles P-C4'-P energy: -44.758
tors. eta vs tors. theta energy: -82.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -886.094544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.094544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.094544 (E_RNA)
where:
Base-Base interactions energy: -631.578
where: short stacking energy: -263.203
Base-Backbone interact. energy: -0.008
local terms energy: -254.508426
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -44.802
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -81.944
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: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -872.962368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.962368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.962368 (E_RNA)
where:
Base-Base interactions energy: -620.210
where: short stacking energy: -251.363
Base-Backbone interact. energy: 0.826
local terms energy: -253.578598
where:
bonds (distance) C4'-P energy: -46.609
bonds (distance) P-C4' energy: -49.474
flat angles C4'-P-C4' energy: -43.998
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -77.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -768.914999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.914999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.914999 (E_RNA)
where:
Base-Base interactions energy: -520.865
where: short stacking energy: -212.177
Base-Backbone interact. energy: -1.384
local terms energy: -246.665445
where:
bonds (distance) C4'-P energy: -49.554
bonds (distance) P-C4' energy: -47.536
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -65.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -759.535336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.535336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.535336 (E_RNA)
where:
Base-Base interactions energy: -528.032
where: short stacking energy: -211.028
Base-Backbone interact. energy: -1.974
local terms energy: -229.529211
where:
bonds (distance) C4'-P energy: -48.323
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -44.990
flat angles P-C4'-P energy: -30.870
tors. eta vs tors. theta energy: -61.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -698.652080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.652080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.652080 (E_RNA)
where:
Base-Base interactions energy: -472.165
where: short stacking energy: -202.779
Base-Backbone interact. energy: -1.416
local terms energy: -225.071106
where:
bonds (distance) C4'-P energy: -34.094
bonds (distance) P-C4' energy: -46.051
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -58.331
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: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -635.684866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.684866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.684866 (E_RNA)
where:
Base-Base interactions energy: -430.861
where: short stacking energy: -196.313
Base-Backbone interact. energy: -0.911
local terms energy: -203.913798
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -48.867
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -53.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -406.293468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.293468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.293468 (E_RNA)
where:
Base-Base interactions energy: -251.790
where: short stacking energy: -127.926
Base-Backbone interact. energy: 0.329
local terms energy: -154.833068
where:
bonds (distance) C4'-P energy: -32.219
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -37.696
flat angles P-C4'-P energy: -28.013
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -211.395005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.395005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.395005 (E_RNA)
where:
Base-Base interactions energy: -79.548
where: short stacking energy: -76.552
Base-Backbone interact. energy: -1.370
local terms energy: -130.476672
where:
bonds (distance) C4'-P energy: -31.353
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -29.253
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -9.874
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: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -211.153149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.153149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.153149 (E_RNA)
where:
Base-Base interactions energy: -70.257
where: short stacking energy: -49.205
Base-Backbone interact. energy: 0.919
local terms energy: -141.814917
where:
bonds (distance) C4'-P energy: -35.001
bonds (distance) P-C4' energy: -43.814
flat angles C4'-P-C4' energy: -39.498
flat angles P-C4'-P energy: -29.972
tors. eta vs tors. theta energy: 6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -918.691061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.691061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.691061 (E_RNA)
where:
Base-Base interactions energy: -647.340
where: short stacking energy: -270.749
Base-Backbone interact. energy: -0.396
local terms energy: -270.954946
where:
bonds (distance) C4'-P energy: -48.367
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -55.801
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -79.879
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: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -895.334866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.334866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.334866 (E_RNA)
where:
Base-Base interactions energy: -642.050
where: short stacking energy: -258.433
Base-Backbone interact. energy: -0.354
local terms energy: -252.930738
where:
bonds (distance) C4'-P energy: -45.493
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -54.882
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -80.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -898.323989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.323989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.323989 (E_RNA)
where:
Base-Base interactions energy: -636.718
where: short stacking energy: -261.697
Base-Backbone interact. energy: 0.158
local terms energy: -261.764058
where:
bonds (distance) C4'-P energy: -49.170
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -51.104
flat angles P-C4'-P energy: -38.679
tors. eta vs tors. theta energy: -82.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -766.297750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.297750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.297750 (E_RNA)
where:
Base-Base interactions energy: -535.186
where: short stacking energy: -229.097
Base-Backbone interact. energy: -1.552
local terms energy: -229.558929
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -38.977
flat angles C4'-P-C4' energy: -49.114
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -64.846
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: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -779.795422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.795422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.795422 (E_RNA)
where:
Base-Base interactions energy: -550.848
where: short stacking energy: -237.834
Base-Backbone interact. energy: -1.666
local terms energy: -227.281463
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -47.486
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -68.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -733.229732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.229732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.229732 (E_RNA)
where:
Base-Base interactions energy: -490.380
where: short stacking energy: -210.105
Base-Backbone interact. energy: -2.054
local terms energy: -240.795307
where:
bonds (distance) C4'-P energy: -43.876
bonds (distance) P-C4' energy: -47.045
flat angles C4'-P-C4' energy: -51.348
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: -61.581
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: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -639.688998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.688998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.688998 (E_RNA)
where:
Base-Base interactions energy: -434.370
where: short stacking energy: -187.914
Base-Backbone interact. energy: -0.375
local terms energy: -204.943785
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -45.265
flat angles C4'-P-C4' energy: -42.017
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -54.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -403.363226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.363226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.363226 (E_RNA)
where:
Base-Base interactions energy: -235.297
where: short stacking energy: -106.099
Base-Backbone interact. energy: 0.621
local terms energy: -168.687494
where:
bonds (distance) C4'-P energy: -43.480
bonds (distance) P-C4' energy: -45.284
flat angles C4'-P-C4' energy: -32.817
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -228.936106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.936106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.936106 (E_RNA)
where:
Base-Base interactions energy: -95.784
where: short stacking energy: -86.938
Base-Backbone interact. energy: 0.890
local terms energy: -134.042632
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -189.388207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.388207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.388207 (E_RNA)
where:
Base-Base interactions energy: -61.914
where: short stacking energy: -49.313
Base-Backbone interact. energy: -0.429
local terms energy: -127.045312
where:
bonds (distance) C4'-P energy: -36.037
bonds (distance) P-C4' energy: -52.549
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: 19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -919.869450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.869450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.869450 (E_RNA)
where:
Base-Base interactions energy: -645.758
where: short stacking energy: -267.018
Base-Backbone interact. energy: -0.044
local terms energy: -274.067191
where:
bonds (distance) C4'-P energy: -47.323
bonds (distance) P-C4' energy: -47.493
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -47.082
tors. eta vs tors. theta energy: -76.312
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: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -900.018328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.018328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.018328 (E_RNA)
where:
Base-Base interactions energy: -640.364
where: short stacking energy: -264.717
Base-Backbone interact. energy: -0.622
local terms energy: -259.031855
where:
bonds (distance) C4'-P energy: -41.056
bonds (distance) P-C4' energy: -46.502
flat angles C4'-P-C4' energy: -49.467
flat angles P-C4'-P energy: -40.843
tors. eta vs tors. theta energy: -81.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -888.469528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.469528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.469528 (E_RNA)
where:
Base-Base interactions energy: -631.878
where: short stacking energy: -252.072
Base-Backbone interact. energy: -0.513
local terms energy: -256.077862
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -53.351
flat angles C4'-P-C4' energy: -53.290
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -77.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -761.816442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.816442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.816442 (E_RNA)
where:
Base-Base interactions energy: -525.991
where: short stacking energy: -237.233
Base-Backbone interact. energy: -0.392
local terms energy: -235.433403
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -44.760
flat angles C4'-P-C4' energy: -47.417
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -68.822
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: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -763.783465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.783465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.783465 (E_RNA)
where:
Base-Base interactions energy: -529.420
where: short stacking energy: -229.572
Base-Backbone interact. energy: -3.214
local terms energy: -231.150104
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -40.509
flat angles C4'-P-C4' energy: -48.519
flat angles P-C4'-P energy: -37.874
tors. eta vs tors. theta energy: -72.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -705.615447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.615447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.615447 (E_RNA)
where:
Base-Base interactions energy: -489.643
where: short stacking energy: -207.269
Base-Backbone interact. energy: -1.336
local terms energy: -214.636107
where:
bonds (distance) C4'-P energy: -51.679
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -38.427
flat angles P-C4'-P energy: -30.643
tors. eta vs tors. theta energy: -57.016
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: 364
Temperature: 1.200000
Total energy: -642.581528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.581528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.581528 (E_RNA)
where:
Base-Base interactions energy: -449.018
where: short stacking energy: -186.030
Base-Backbone interact. energy: -0.419
local terms energy: -193.144629
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -47.844
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -58.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -437.845702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.845702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.845702 (E_RNA)
where:
Base-Base interactions energy: -268.274
where: short stacking energy: -131.991
Base-Backbone interact. energy: -0.591
local terms energy: -168.980745
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -41.401
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -28.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -227.225324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.225324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.225324 (E_RNA)
where:
Base-Base interactions energy: -85.818
where: short stacking energy: -78.875
Base-Backbone interact. energy: 0.163
local terms energy: -141.570242
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -42.018
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -22.683
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -197.272988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.272988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.272988 (E_RNA)
where:
Base-Base interactions energy: -58.375
where: short stacking energy: -41.402
Base-Backbone interact. energy: -0.070
local terms energy: -138.828140
where:
bonds (distance) C4'-P energy: -41.558
bonds (distance) P-C4' energy: -42.668
flat angles C4'-P-C4' energy: -32.289
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: 3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -914.506934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.506934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.506934 (E_RNA)
where:
Base-Base interactions energy: -644.336
where: short stacking energy: -277.089
Base-Backbone interact. energy: -0.087
local terms energy: -270.084635
where:
bonds (distance) C4'-P energy: -39.594
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -41.729
tors. eta vs tors. theta energy: -85.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -910.205052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.205052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.205052 (E_RNA)
where:
Base-Base interactions energy: -648.282
where: short stacking energy: -278.855
Base-Backbone interact. energy: -0.130
local terms energy: -261.792525
where:
bonds (distance) C4'-P energy: -42.801
bonds (distance) P-C4' energy: -48.196
flat angles C4'-P-C4' energy: -50.591
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -82.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -897.997249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.997249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.997249 (E_RNA)
where:
Base-Base interactions energy: -633.305
where: short stacking energy: -264.682
Base-Backbone interact. energy: 0.722
local terms energy: -265.414562
where:
bonds (distance) C4'-P energy: -44.144
bonds (distance) P-C4' energy: -49.158
flat angles C4'-P-C4' energy: -52.994
flat angles P-C4'-P energy: -38.759
tors. eta vs tors. theta energy: -80.360
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: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -773.365801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.365801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.365801 (E_RNA)
where:
Base-Base interactions energy: -535.604
where: short stacking energy: -229.554
Base-Backbone interact. energy: -0.709
local terms energy: -237.052483
where:
bonds (distance) C4'-P energy: -39.581
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -70.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -735.196307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.196307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.196307 (E_RNA)
where:
Base-Base interactions energy: -500.856
where: short stacking energy: -216.070
Base-Backbone interact. energy: -0.244
local terms energy: -234.096336
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -50.481
flat angles P-C4'-P energy: -36.985
tors. eta vs tors. theta energy: -65.334
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: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -719.558087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.558087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.558087 (E_RNA)
where:
Base-Base interactions energy: -493.333
where: short stacking energy: -210.571
Base-Backbone interact. energy: -0.376
local terms energy: -225.849405
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -38.126
flat angles C4'-P-C4' energy: -51.997
flat angles P-C4'-P energy: -34.551
tors. eta vs tors. theta energy: -58.985
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: 365
Temperature: 1.200000
Total energy: -576.638212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.638212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.638212 (E_RNA)
where:
Base-Base interactions energy: -392.417
where: short stacking energy: -183.935
Base-Backbone interact. energy: -3.430
local terms energy: -180.791707
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -40.553
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: -50.835
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: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -418.120261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.120261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.120261 (E_RNA)
where:
Base-Base interactions energy: -264.753
where: short stacking energy: -135.948
Base-Backbone interact. energy: -0.094
local terms energy: -153.273342
where:
bonds (distance) C4'-P energy: -32.439
bonds (distance) P-C4' energy: -35.117
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -23.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -241.633891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.633891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.633891 (E_RNA)
where:
Base-Base interactions energy: -89.750
where: short stacking energy: -72.970
Base-Backbone interact. energy: -0.235
local terms energy: -151.648902
where:
bonds (distance) C4'-P energy: -41.995
bonds (distance) P-C4' energy: -36.907
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -32.859
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -217.077856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.077856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.077856 (E_RNA)
where:
Base-Base interactions energy: -82.105
where: short stacking energy: -71.166
Base-Backbone interact. energy: -1.774
local terms energy: -133.198477
where:
bonds (distance) C4'-P energy: -42.010
bonds (distance) P-C4' energy: -36.457
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: 2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -919.673684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.673684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.673684 (E_RNA)
where:
Base-Base interactions energy: -642.224
where: short stacking energy: -267.190
Base-Backbone interact. energy: -1.128
local terms energy: -276.321576
where:
bonds (distance) C4'-P energy: -43.161
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -57.370
flat angles P-C4'-P energy: -43.707
tors. eta vs tors. theta energy: -85.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -899.498770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.498770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.498770 (E_RNA)
where:
Base-Base interactions energy: -632.313
where: short stacking energy: -263.119
Base-Backbone interact. energy: -0.611
local terms energy: -266.574656
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -37.435
tors. eta vs tors. theta energy: -76.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -872.916546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.916546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.916546 (E_RNA)
where:
Base-Base interactions energy: -606.926
where: short stacking energy: -259.387
Base-Backbone interact. energy: -0.215
local terms energy: -265.774965
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -44.898
flat angles C4'-P-C4' energy: -52.759
flat angles P-C4'-P energy: -38.986
tors. eta vs tors. theta energy: -77.655
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: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -777.529444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.529444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.529444 (E_RNA)
where:
Base-Base interactions energy: -539.099
where: short stacking energy: -235.531
Base-Backbone interact. energy: -0.063
local terms energy: -238.366829
where:
bonds (distance) C4'-P energy: -46.158
bonds (distance) P-C4' energy: -40.324
flat angles C4'-P-C4' energy: -51.422
flat angles P-C4'-P energy: -32.520
tors. eta vs tors. theta energy: -67.943
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: 366
Temperature: 1.100000
Total energy: -754.899211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.899211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.899211 (E_RNA)
where:
Base-Base interactions energy: -510.324
where: short stacking energy: -220.864
Base-Backbone interact. energy: -1.099
local terms energy: -243.475677
where:
bonds (distance) C4'-P energy: -45.608
bonds (distance) P-C4' energy: -46.333
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -69.850
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: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -658.714062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.714062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.714062 (E_RNA)
where:
Base-Base interactions energy: -454.476
where: short stacking energy: -184.393
Base-Backbone interact. energy: -0.242
local terms energy: -203.995942
where:
bonds (distance) C4'-P energy: -37.141
bonds (distance) P-C4' energy: -49.169
flat angles C4'-P-C4' energy: -41.512
flat angles P-C4'-P energy: -28.012
tors. eta vs tors. theta energy: -48.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -558.486294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.486294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.486294 (E_RNA)
where:
Base-Base interactions energy: -374.385
where: short stacking energy: -155.133
Base-Backbone interact. energy: -2.376
local terms energy: -181.724886
where:
bonds (distance) C4'-P energy: -44.114
bonds (distance) P-C4' energy: -32.986
flat angles C4'-P-C4' energy: -32.746
flat angles P-C4'-P energy: -28.352
tors. eta vs tors. theta energy: -43.527
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: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -432.126663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.126663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.126663 (E_RNA)
where:
Base-Base interactions energy: -256.098
where: short stacking energy: -127.308
Base-Backbone interact. energy: -0.598
local terms energy: -175.430178
where:
bonds (distance) C4'-P energy: -38.593
bonds (distance) P-C4' energy: -46.410
flat angles C4'-P-C4' energy: -39.180
flat angles P-C4'-P energy: -21.256
tors. eta vs tors. theta energy: -29.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -221.387839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.387839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.387839 (E_RNA)
where:
Base-Base interactions energy: -77.752
where: short stacking energy: -67.603
Base-Backbone interact. energy: -1.192
local terms energy: -142.444132
where:
bonds (distance) C4'-P energy: -42.053
bonds (distance) P-C4' energy: -44.193
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -254.071660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.071660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.071660 (E_RNA)
where:
Base-Base interactions energy: -118.976
where: short stacking energy: -65.849
Base-Backbone interact. energy: -2.085
local terms energy: -133.010879
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -40.618
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: 3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -918.214089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.214089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.214089 (E_RNA)
where:
Base-Base interactions energy: -644.124
where: short stacking energy: -262.794
Base-Backbone interact. energy: -0.074
local terms energy: -274.015378
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -50.768
flat angles C4'-P-C4' energy: -51.600
flat angles P-C4'-P energy: -38.057
tors. eta vs tors. theta energy: -83.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -892.945642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.945642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.945642 (E_RNA)
where:
Base-Base interactions energy: -625.104
where: short stacking energy: -271.535
Base-Backbone interact. energy: -0.974
local terms energy: -266.867678
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -42.516
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -84.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -875.579547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.579547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.579547 (E_RNA)
where:
Base-Base interactions energy: -634.552
where: short stacking energy: -269.281
Base-Backbone interact. energy: -0.231
local terms energy: -240.796303
where:
bonds (distance) C4'-P energy: -33.248
bonds (distance) P-C4' energy: -43.163
flat angles C4'-P-C4' energy: -45.727
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -84.780
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: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -787.198332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.198332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.198332 (E_RNA)
where:
Base-Base interactions energy: -549.414
where: short stacking energy: -227.350
Base-Backbone interact. energy: -0.253
local terms energy: -237.531768
where:
bonds (distance) C4'-P energy: -36.382
bonds (distance) P-C4' energy: -46.957
flat angles C4'-P-C4' energy: -49.598
flat angles P-C4'-P energy: -35.427
tors. eta vs tors. theta energy: -69.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -765.742111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.742111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.742111 (E_RNA)
where:
Base-Base interactions energy: -548.280
where: short stacking energy: -221.020
Base-Backbone interact. energy: -0.095
local terms energy: -217.367464
where:
bonds (distance) C4'-P energy: -32.775
bonds (distance) P-C4' energy: -38.277
flat angles C4'-P-C4' energy: -48.105
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -70.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -691.014352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.014352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.014352 (E_RNA)
where:
Base-Base interactions energy: -464.562
where: short stacking energy: -194.166
Base-Backbone interact. energy: -0.741
local terms energy: -225.711345
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -50.001
flat angles C4'-P-C4' energy: -40.023
flat angles P-C4'-P energy: -31.726
tors. eta vs tors. theta energy: -58.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -570.462785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.462785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.462785 (E_RNA)
where:
Base-Base interactions energy: -363.963
where: short stacking energy: -163.814
Base-Backbone interact. energy: 2.254
local terms energy: -208.753251
where:
bonds (distance) C4'-P energy: -35.896
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -48.996
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -48.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -434.030091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.030091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.030091 (E_RNA)
where:
Base-Base interactions energy: -273.213
where: short stacking energy: -129.907
Base-Backbone interact. energy: -1.248
local terms energy: -159.568819
where:
bonds (distance) C4'-P energy: -42.484
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -38.760
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -30.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -232.835347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.835347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.835347 (E_RNA)
where:
Base-Base interactions energy: -78.402
where: short stacking energy: -74.099
Base-Backbone interact. energy: -1.770
local terms energy: -152.662809
where:
bonds (distance) C4'-P energy: -41.288
bonds (distance) P-C4' energy: -40.128
flat angles C4'-P-C4' energy: -42.836
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: 2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -266.694448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.694448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.694448 (E_RNA)
where:
Base-Base interactions energy: -142.071
where: short stacking energy: -82.944
Base-Backbone interact. energy: -0.626
local terms energy: -123.996928
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -33.866
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -904.081954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.081954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.081954 (E_RNA)
where:
Base-Base interactions energy: -634.739
where: short stacking energy: -271.732
Base-Backbone interact. energy: -0.047
local terms energy: -269.295950
where:
bonds (distance) C4'-P energy: -47.696
bonds (distance) P-C4' energy: -49.462
flat angles C4'-P-C4' energy: -53.549
flat angles P-C4'-P energy: -35.553
tors. eta vs tors. theta energy: -83.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -901.173051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.173051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.173051 (E_RNA)
where:
Base-Base interactions energy: -630.986
where: short stacking energy: -270.386
Base-Backbone interact. energy: 0.466
local terms energy: -270.652993
where:
bonds (distance) C4'-P energy: -50.019
bonds (distance) P-C4' energy: -45.781
flat angles C4'-P-C4' energy: -53.495
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -85.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -881.366518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.366518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.366518 (E_RNA)
where:
Base-Base interactions energy: -619.600
where: short stacking energy: -262.372
Base-Backbone interact. energy: -0.245
local terms energy: -261.521736
where:
bonds (distance) C4'-P energy: -44.993
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -53.036
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -82.353
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: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -763.551152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.551152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.551152 (E_RNA)
where:
Base-Base interactions energy: -531.314
where: short stacking energy: -235.004
Base-Backbone interact. energy: -0.153
local terms energy: -232.084151
where:
bonds (distance) C4'-P energy: -36.985
bonds (distance) P-C4' energy: -35.267
flat angles C4'-P-C4' energy: -52.354
flat angles P-C4'-P energy: -32.751
tors. eta vs tors. theta energy: -74.728
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: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -769.549540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.549540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.549540 (E_RNA)
where:
Base-Base interactions energy: -541.468
where: short stacking energy: -226.324
Base-Backbone interact. energy: -1.281
local terms energy: -226.800227
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -46.784
flat angles C4'-P-C4' energy: -51.355
flat angles P-C4'-P energy: -31.799
tors. eta vs tors. theta energy: -69.381
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: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -682.766066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.766066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.766066 (E_RNA)
where:
Base-Base interactions energy: -449.392
where: short stacking energy: -191.363
Base-Backbone interact. energy: -0.210
local terms energy: -233.164196
where:
bonds (distance) C4'-P energy: -39.909
bonds (distance) P-C4' energy: -46.532
flat angles C4'-P-C4' energy: -52.283
flat angles P-C4'-P energy: -38.046
tors. eta vs tors. theta energy: -56.395
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: 368
Temperature: 1.200000
Total energy: -613.821026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.821026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.821026 (E_RNA)
where:
Base-Base interactions energy: -382.231
where: short stacking energy: -184.633
Base-Backbone interact. energy: -1.429
local terms energy: -230.161091
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -44.028
flat angles C4'-P-C4' energy: -48.032
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -61.810
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -437.428755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.428755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.428755 (E_RNA)
where:
Base-Base interactions energy: -270.629
where: short stacking energy: -135.957
Base-Backbone interact. energy: -0.686
local terms energy: -166.113845
where:
bonds (distance) C4'-P energy: -41.042
bonds (distance) P-C4' energy: -30.796
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -26.406
tors. eta vs tors. theta energy: -27.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -301.050455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.050455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.050455 (E_RNA)
where:
Base-Base interactions energy: -146.105
where: short stacking energy: -99.398
Base-Backbone interact. energy: -0.525
local terms energy: -154.419660
where:
bonds (distance) C4'-P energy: -42.097
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -39.472
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -205.936699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.936699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.936699 (E_RNA)
where:
Base-Base interactions energy: -81.931
where: short stacking energy: -68.543
Base-Backbone interact. energy: 2.881
local terms energy: -126.887459
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -39.607
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -910.547361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.547361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.547361 (E_RNA)
where:
Base-Base interactions energy: -631.841
where: short stacking energy: -276.955
Base-Backbone interact. energy: -0.155
local terms energy: -278.551306
where:
bonds (distance) C4'-P energy: -49.403
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -54.123
flat angles P-C4'-P energy: -42.652
tors. eta vs tors. theta energy: -84.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -896.873832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.873832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.873832 (E_RNA)
where:
Base-Base interactions energy: -637.053
where: short stacking energy: -268.323
Base-Backbone interact. energy: -0.040
local terms energy: -259.781157
where:
bonds (distance) C4'-P energy: -40.005
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -54.480
flat angles P-C4'-P energy: -41.243
tors. eta vs tors. theta energy: -82.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -869.805055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.805055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.805055 (E_RNA)
where:
Base-Base interactions energy: -615.549
where: short stacking energy: -264.014
Base-Backbone interact. energy: -0.006
local terms energy: -254.250194
where:
bonds (distance) C4'-P energy: -44.192
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -37.229
tors. eta vs tors. theta energy: -83.299
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: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -789.674791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.674791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.674791 (E_RNA)
where:
Base-Base interactions energy: -557.493
where: short stacking energy: -237.635
Base-Backbone interact. energy: -0.673
local terms energy: -231.509354
where:
bonds (distance) C4'-P energy: -42.393
bonds (distance) P-C4' energy: -42.549
flat angles C4'-P-C4' energy: -48.243
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -74.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -736.362071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.362071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.362071 (E_RNA)
where:
Base-Base interactions energy: -503.619
where: short stacking energy: -210.249
Base-Backbone interact. energy: -0.147
local terms energy: -232.595186
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -41.514
flat angles C4'-P-C4' energy: -50.067
flat angles P-C4'-P energy: -39.331
tors. eta vs tors. theta energy: -63.011
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: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -683.316069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.316069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.316069 (E_RNA)
where:
Base-Base interactions energy: -473.799
where: short stacking energy: -211.709
Base-Backbone interact. energy: -0.246
local terms energy: -209.271233
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -32.419
flat angles C4'-P-C4' energy: -52.161
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -61.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -605.611438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.611438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.611438 (E_RNA)
where:
Base-Base interactions energy: -394.765
where: short stacking energy: -195.553
Base-Backbone interact. energy: -0.602
local terms energy: -210.244123
where:
bonds (distance) C4'-P energy: -42.754
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -43.966
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -53.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -427.661024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.661024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.661024 (E_RNA)
where:
Base-Base interactions energy: -255.961
where: short stacking energy: -118.624
Base-Backbone interact. energy: -2.213
local terms energy: -169.487134
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -44.939
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -285.746129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.746129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.746129 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -81.881
Base-Backbone interact. energy: -0.766
local terms energy: -147.958839
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -36.615
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -28.839
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -195.311477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.311477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.311477 (E_RNA)
where:
Base-Base interactions energy: -55.998
where: short stacking energy: -48.111
Base-Backbone interact. energy: -0.752
local terms energy: -138.561694
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -42.975
flat angles C4'-P-C4' energy: -36.865
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: 10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -918.605334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.605334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.605334 (E_RNA)
where:
Base-Base interactions energy: -642.383
where: short stacking energy: -262.352
Base-Backbone interact. energy: -0.552
local terms energy: -275.670251
where:
bonds (distance) C4'-P energy: -51.078
bonds (distance) P-C4' energy: -41.539
flat angles C4'-P-C4' energy: -56.441
flat angles P-C4'-P energy: -39.380
tors. eta vs tors. theta energy: -87.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -899.268535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.268535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.268535 (E_RNA)
where:
Base-Base interactions energy: -637.201
where: short stacking energy: -274.689
Base-Backbone interact. energy: -0.004
local terms energy: -262.063888
where:
bonds (distance) C4'-P energy: -45.504
bonds (distance) P-C4' energy: -45.132
flat angles C4'-P-C4' energy: -49.806
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -82.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -875.168849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.168849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.168849 (E_RNA)
where:
Base-Base interactions energy: -623.247
where: short stacking energy: -257.347
Base-Backbone interact. energy: -0.643
local terms energy: -251.279018
where:
bonds (distance) C4'-P energy: -48.971
bonds (distance) P-C4' energy: -37.253
flat angles C4'-P-C4' energy: -48.429
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -77.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -762.537115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.537115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.537115 (E_RNA)
where:
Base-Base interactions energy: -546.890
where: short stacking energy: -230.749
Base-Backbone interact. energy: -0.155
local terms energy: -215.491599
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -38.854
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -23.911
tors. eta vs tors. theta energy: -65.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -770.225380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.225380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.225380 (E_RNA)
where:
Base-Base interactions energy: -540.158
where: short stacking energy: -228.777
Base-Backbone interact. energy: -0.784
local terms energy: -229.283216
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -40.755
flat angles C4'-P-C4' energy: -41.622
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -72.369
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: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -673.410658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.410658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.410658 (E_RNA)
where:
Base-Base interactions energy: -465.596
where: short stacking energy: -194.294
Base-Backbone interact. energy: -0.605
local terms energy: -207.209280
where:
bonds (distance) C4'-P energy: -47.796
bonds (distance) P-C4' energy: -34.902
flat angles C4'-P-C4' energy: -38.307
flat angles P-C4'-P energy: -31.894
tors. eta vs tors. theta energy: -54.310
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: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -551.305309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.305309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.305309 (E_RNA)
where:
Base-Base interactions energy: -344.423
where: short stacking energy: -161.243
Base-Backbone interact. energy: -0.318
local terms energy: -206.564065
where:
bonds (distance) C4'-P energy: -46.319
bonds (distance) P-C4' energy: -47.110
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: -37.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -422.526511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.526511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.526511 (E_RNA)
where:
Base-Base interactions energy: -239.232
where: short stacking energy: -112.107
Base-Backbone interact. energy: -0.813
local terms energy: -182.481361
where:
bonds (distance) C4'-P energy: -46.838
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -48.910
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: -28.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -269.536379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.536379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.536379 (E_RNA)
where:
Base-Base interactions energy: -129.404
where: short stacking energy: -83.422
Base-Backbone interact. energy: 1.898
local terms energy: -142.030055
where:
bonds (distance) C4'-P energy: -34.936
bonds (distance) P-C4' energy: -40.848
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -206.404837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.404837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.404837 (E_RNA)
where:
Base-Base interactions energy: -71.908
where: short stacking energy: -65.717
Base-Backbone interact. energy: -0.850
local terms energy: -133.646473
where:
bonds (distance) C4'-P energy: -31.652
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -42.913
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -919.362608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.362608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.362608 (E_RNA)
where:
Base-Base interactions energy: -648.704
where: short stacking energy: -268.942
Base-Backbone interact. energy: -0.378
local terms energy: -270.280306
where:
bonds (distance) C4'-P energy: -44.987
bonds (distance) P-C4' energy: -47.007
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -37.341
tors. eta vs tors. theta energy: -83.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -892.820007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.820007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.820007 (E_RNA)
where:
Base-Base interactions energy: -630.212
where: short stacking energy: -270.977
Base-Backbone interact. energy: -1.208
local terms energy: -261.399595
where:
bonds (distance) C4'-P energy: -42.332
bonds (distance) P-C4' energy: -43.147
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -85.084
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: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -883.684273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.684273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.684273 (E_RNA)
where:
Base-Base interactions energy: -625.623
where: short stacking energy: -263.902
Base-Backbone interact. energy: -0.148
local terms energy: -257.913147
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -56.475
flat angles P-C4'-P energy: -41.675
tors. eta vs tors. theta energy: -80.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -757.508911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.508911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.508911 (E_RNA)
where:
Base-Base interactions energy: -517.060
where: short stacking energy: -218.782
Base-Backbone interact. energy: 0.510
local terms energy: -240.958700
where:
bonds (distance) C4'-P energy: -46.073
bonds (distance) P-C4' energy: -40.947
flat angles C4'-P-C4' energy: -50.494
flat angles P-C4'-P energy: -37.825
tors. eta vs tors. theta energy: -65.619
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: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -769.081679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.081679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.081679 (E_RNA)
where:
Base-Base interactions energy: -536.186
where: short stacking energy: -232.204
Base-Backbone interact. energy: -0.792
local terms energy: -232.104340
where:
bonds (distance) C4'-P energy: -34.535
bonds (distance) P-C4' energy: -47.072
flat angles C4'-P-C4' energy: -46.966
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -70.931
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: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -698.780688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.780688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.780688 (E_RNA)
where:
Base-Base interactions energy: -480.023
where: short stacking energy: -199.146
Base-Backbone interact. energy: -0.471
local terms energy: -218.286566
where:
bonds (distance) C4'-P energy: -43.058
bonds (distance) P-C4' energy: -34.890
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -37.786
tors. eta vs tors. theta energy: -53.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -551.683199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.683199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.683199 (E_RNA)
where:
Base-Base interactions energy: -351.393
where: short stacking energy: -152.418
Base-Backbone interact. energy: -1.567
local terms energy: -198.722376
where:
bonds (distance) C4'-P energy: -36.352
bonds (distance) P-C4' energy: -48.523
flat angles C4'-P-C4' energy: -42.793
flat angles P-C4'-P energy: -27.460
tors. eta vs tors. theta energy: -43.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -417.657189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.657189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.657189 (E_RNA)
where:
Base-Base interactions energy: -248.261
where: short stacking energy: -123.774
Base-Backbone interact. energy: -2.202
local terms energy: -167.194224
where:
bonds (distance) C4'-P energy: -49.274
bonds (distance) P-C4' energy: -38.678
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -275.223069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.223069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.223069 (E_RNA)
where:
Base-Base interactions energy: -130.139
where: short stacking energy: -77.465
Base-Backbone interact. energy: -0.836
local terms energy: -144.248438
where:
bonds (distance) C4'-P energy: -50.384
bonds (distance) P-C4' energy: -46.715
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: 5.506
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: 371
Temperature: 1.350000
Total energy: -195.995994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.995994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.995994 (E_RNA)
where:
Base-Base interactions energy: -65.795
where: short stacking energy: -55.490
Base-Backbone interact. energy: 0.816
local terms energy: -131.017036
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -34.341
flat angles C4'-P-C4' energy: -32.695
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -910.649000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.649000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.649000 (E_RNA)
where:
Base-Base interactions energy: -643.551
where: short stacking energy: -266.722
Base-Backbone interact. energy: -0.731
local terms energy: -266.367123
where:
bonds (distance) C4'-P energy: -40.580
bonds (distance) P-C4' energy: -47.550
flat angles C4'-P-C4' energy: -55.400
flat angles P-C4'-P energy: -38.708
tors. eta vs tors. theta energy: -84.130
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: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -899.358679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.358679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.358679 (E_RNA)
where:
Base-Base interactions energy: -644.565
where: short stacking energy: -269.238
Base-Backbone interact. energy: -0.339
local terms energy: -254.455129
where:
bonds (distance) C4'-P energy: -39.453
bonds (distance) P-C4' energy: -44.779
flat angles C4'-P-C4' energy: -49.091
flat angles P-C4'-P energy: -39.271
tors. eta vs tors. theta energy: -81.860
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: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -867.490965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.490965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.490965 (E_RNA)
where:
Base-Base interactions energy: -612.858
where: short stacking energy: -251.086
Base-Backbone interact. energy: -0.061
local terms energy: -254.571659
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -48.994
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -38.213
tors. eta vs tors. theta energy: -76.748
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: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -760.801724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.801724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.801724 (E_RNA)
where:
Base-Base interactions energy: -526.223
where: short stacking energy: -231.860
Base-Backbone interact. energy: -0.600
local terms energy: -233.978730
where:
bonds (distance) C4'-P energy: -45.453
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -50.933
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -62.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -715.145128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.145128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.145128 (E_RNA)
where:
Base-Base interactions energy: -479.812
where: short stacking energy: -210.230
Base-Backbone interact. energy: -1.160
local terms energy: -234.173153
where:
bonds (distance) C4'-P energy: -43.598
bonds (distance) P-C4' energy: -40.798
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -37.167
tors. eta vs tors. theta energy: -60.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -751.121868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.121868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.121868 (E_RNA)
where:
Base-Base interactions energy: -508.018
where: short stacking energy: -224.445
Base-Backbone interact. energy: -0.139
local terms energy: -242.964926
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -38.690
flat angles C4'-P-C4' energy: -45.707
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -71.028
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: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -565.226929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.226929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.226929 (E_RNA)
where:
Base-Base interactions energy: -373.320
where: short stacking energy: -179.354
Base-Backbone interact. energy: -0.198
local terms energy: -191.708616
where:
bonds (distance) C4'-P energy: -38.217
bonds (distance) P-C4' energy: -40.139
flat angles C4'-P-C4' energy: -34.143
flat angles P-C4'-P energy: -32.657
tors. eta vs tors. theta energy: -46.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -437.208672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.208672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.208672 (E_RNA)
where:
Base-Base interactions energy: -259.072
where: short stacking energy: -124.742
Base-Backbone interact. energy: 0.319
local terms energy: -178.455362
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -45.500
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -31.289
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: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -268.798318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.798318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.798318 (E_RNA)
where:
Base-Base interactions energy: -136.344
where: short stacking energy: -64.564
Base-Backbone interact. energy: -1.870
local terms energy: -130.584204
where:
bonds (distance) C4'-P energy: -34.884
bonds (distance) P-C4' energy: -38.473
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -235.672096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.672096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.672096 (E_RNA)
where:
Base-Base interactions energy: -92.879
where: short stacking energy: -76.973
Base-Backbone interact. energy: -0.415
local terms energy: -142.377692
where:
bonds (distance) C4'-P energy: -45.115
bonds (distance) P-C4' energy: -41.660
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -23.460
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -912.094366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.094366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.094366 (E_RNA)
where:
Base-Base interactions energy: -646.009
where: short stacking energy: -273.265
Base-Backbone interact. energy: -0.738
local terms energy: -265.348144
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -46.880
flat angles C4'-P-C4' energy: -50.079
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: -85.687
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: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -890.065967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.065967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.065967 (E_RNA)
where:
Base-Base interactions energy: -629.111
where: short stacking energy: -273.495
Base-Backbone interact. energy: -0.044
local terms energy: -260.910818
where:
bonds (distance) C4'-P energy: -45.938
bonds (distance) P-C4' energy: -45.871
flat angles C4'-P-C4' energy: -49.451
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: -78.773
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: 373
Temperature: 1.000000
Total energy: -864.737980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.737980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.737980 (E_RNA)
where:
Base-Base interactions energy: -622.180
where: short stacking energy: -263.387
Base-Backbone interact. energy: -0.295
local terms energy: -242.262896
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -41.903
flat angles C4'-P-C4' energy: -49.489
flat angles P-C4'-P energy: -37.251
tors. eta vs tors. theta energy: -73.794
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: 373
Temperature: 1.050000
Total energy: -727.456560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.456560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.456560 (E_RNA)
where:
Base-Base interactions energy: -503.361
where: short stacking energy: -215.588
Base-Backbone interact. energy: -0.495
local terms energy: -223.600186
where:
bonds (distance) C4'-P energy: -38.723
bonds (distance) P-C4' energy: -52.337
flat angles C4'-P-C4' energy: -48.821
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -58.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -736.489268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.489268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.489268 (E_RNA)
where:
Base-Base interactions energy: -513.477
where: short stacking energy: -219.390
Base-Backbone interact. energy: -1.301
local terms energy: -221.711120
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -39.468
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -31.925
tors. eta vs tors. theta energy: -65.943
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: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -752.408064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.408064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.408064 (E_RNA)
where:
Base-Base interactions energy: -532.311
where: short stacking energy: -212.839
Base-Backbone interact. energy: -0.266
local terms energy: -219.831235
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -40.538
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -66.417
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: 373
Temperature: 1.200000
Total energy: -542.741892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.741892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.741892 (E_RNA)
where:
Base-Base interactions energy: -340.600
where: short stacking energy: -159.678
Base-Backbone interact. energy: -0.650
local terms energy: -201.491725
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -43.163
flat angles P-C4'-P energy: -33.111
tors. eta vs tors. theta energy: -41.786
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: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -429.787245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.787245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.787245 (E_RNA)
where:
Base-Base interactions energy: -252.387
where: short stacking energy: -127.586
Base-Backbone interact. energy: -0.566
local terms energy: -176.833303
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -38.902
flat angles C4'-P-C4' energy: -43.507
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -30.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -214.099242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.099242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.099242 (E_RNA)
where:
Base-Base interactions energy: -88.843
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.063
local terms energy: -125.193612
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -36.018
flat angles C4'-P-C4' energy: -34.384
flat angles P-C4'-P energy: -16.970
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -200.160374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.160374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.160374 (E_RNA)
where:
Base-Base interactions energy: -64.700
where: short stacking energy: -59.312
Base-Backbone interact. energy: 0.010
local terms energy: -135.470240
where:
bonds (distance) C4'-P energy: -41.900
bonds (distance) P-C4' energy: -53.601
flat angles C4'-P-C4' energy: -39.756
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: 12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -904.829874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.829874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.829874 (E_RNA)
where:
Base-Base interactions energy: -633.140
where: short stacking energy: -275.695
Base-Backbone interact. energy: -0.092
local terms energy: -271.598058
where:
bonds (distance) C4'-P energy: -44.215
bonds (distance) P-C4' energy: -47.206
flat angles C4'-P-C4' energy: -53.998
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -81.068
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: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -911.747206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.747206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.747206 (E_RNA)
where:
Base-Base interactions energy: -641.975
where: short stacking energy: -265.181
Base-Backbone interact. energy: -0.589
local terms energy: -269.183168
where:
bonds (distance) C4'-P energy: -40.329
bonds (distance) P-C4' energy: -49.240
flat angles C4'-P-C4' energy: -55.823
flat angles P-C4'-P energy: -39.837
tors. eta vs tors. theta energy: -83.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -875.800793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.800793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.800793 (E_RNA)
where:
Base-Base interactions energy: -620.704
where: short stacking energy: -267.195
Base-Backbone interact. energy: -0.617
local terms energy: -254.479097
where:
bonds (distance) C4'-P energy: -48.164
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -49.074
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -80.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -684.542438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.542438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.542438 (E_RNA)
where:
Base-Base interactions energy: -462.473
where: short stacking energy: -201.267
Base-Backbone interact. energy: -1.055
local terms energy: -221.014846
where:
bonds (distance) C4'-P energy: -42.847
bonds (distance) P-C4' energy: -45.379
flat angles C4'-P-C4' energy: -44.631
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -52.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -748.267086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.267086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.267086 (E_RNA)
where:
Base-Base interactions energy: -521.739
where: short stacking energy: -204.332
Base-Backbone interact. energy: 0.002
local terms energy: -226.530361
where:
bonds (distance) C4'-P energy: -45.353
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -47.304
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -62.847
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: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -727.739298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.739298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.739298 (E_RNA)
where:
Base-Base interactions energy: -502.003
where: short stacking energy: -207.371
Base-Backbone interact. energy: -0.297
local terms energy: -225.439721
where:
bonds (distance) C4'-P energy: -39.558
bonds (distance) P-C4' energy: -40.116
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -62.662
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: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -547.689112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.689112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.689112 (E_RNA)
where:
Base-Base interactions energy: -352.759
where: short stacking energy: -171.063
Base-Backbone interact. energy: -1.053
local terms energy: -193.877046
where:
bonds (distance) C4'-P energy: -45.511
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -45.448
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: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -440.422255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.422255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.422255 (E_RNA)
where:
Base-Base interactions energy: -260.071
where: short stacking energy: -115.295
Base-Backbone interact. energy: 2.173
local terms energy: -182.524256
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -44.520
flat angles C4'-P-C4' energy: -33.722
flat angles P-C4'-P energy: -31.525
tors. eta vs tors. theta energy: -23.380
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: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -231.220781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.220781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.220781 (E_RNA)
where:
Base-Base interactions energy: -74.943
where: short stacking energy: -55.433
Base-Backbone interact. energy: 0.774
local terms energy: -157.052233
where:
bonds (distance) C4'-P energy: -49.790
bonds (distance) P-C4' energy: -38.952
flat angles C4'-P-C4' energy: -34.488
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -211.719614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.719614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.719614 (E_RNA)
where:
Base-Base interactions energy: -81.848
where: short stacking energy: -73.775
Base-Backbone interact. energy: 0.677
local terms energy: -130.548207
where:
bonds (distance) C4'-P energy: -29.252
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -906.075077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.075077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.075077 (E_RNA)
where:
Base-Base interactions energy: -630.791
where: short stacking energy: -275.309
Base-Backbone interact. energy: -0.004
local terms energy: -275.279629
where:
bonds (distance) C4'-P energy: -47.046
bonds (distance) P-C4' energy: -41.466
flat angles C4'-P-C4' energy: -59.064
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -84.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -890.699239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.699239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.699239 (E_RNA)
where:
Base-Base interactions energy: -622.093
where: short stacking energy: -264.108
Base-Backbone interact. energy: -0.030
local terms energy: -268.576382
where:
bonds (distance) C4'-P energy: -45.871
bonds (distance) P-C4' energy: -44.402
flat angles C4'-P-C4' energy: -54.444
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -81.501
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: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -877.494482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.494482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.494482 (E_RNA)
where:
Base-Base interactions energy: -623.434
where: short stacking energy: -272.855
Base-Backbone interact. energy: -0.005
local terms energy: -254.055032
where:
bonds (distance) C4'-P energy: -37.778
bonds (distance) P-C4' energy: -43.149
flat angles C4'-P-C4' energy: -48.681
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -83.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -759.817072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.817072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.817072 (E_RNA)
where:
Base-Base interactions energy: -512.578
where: short stacking energy: -219.381
Base-Backbone interact. energy: -0.724
local terms energy: -246.515712
where:
bonds (distance) C4'-P energy: -45.676
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -45.318
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -71.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -690.127610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.127610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.127610 (E_RNA)
where:
Base-Base interactions energy: -460.759
where: short stacking energy: -206.289
Base-Backbone interact. energy: -0.201
local terms energy: -229.167301
where:
bonds (distance) C4'-P energy: -44.227
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -48.712
flat angles P-C4'-P energy: -34.320
tors. eta vs tors. theta energy: -53.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -732.921430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.921430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.921430 (E_RNA)
where:
Base-Base interactions energy: -503.104
where: short stacking energy: -210.247
Base-Backbone interact. energy: -0.718
local terms energy: -229.099661
where:
bonds (distance) C4'-P energy: -41.692
bonds (distance) P-C4' energy: -43.893
flat angles C4'-P-C4' energy: -50.918
flat angles P-C4'-P energy: -28.024
tors. eta vs tors. theta energy: -64.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -519.930489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.930489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.930489 (E_RNA)
where:
Base-Base interactions energy: -324.111
where: short stacking energy: -170.827
Base-Backbone interact. energy: 0.301
local terms energy: -196.119902
where:
bonds (distance) C4'-P energy: -38.480
bonds (distance) P-C4' energy: -41.125
flat angles C4'-P-C4' energy: -45.997
flat angles P-C4'-P energy: -33.784
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: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -451.282504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.282504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.282504 (E_RNA)
where:
Base-Base interactions energy: -285.403
where: short stacking energy: -141.245
Base-Backbone interact. energy: -1.366
local terms energy: -164.513063
where:
bonds (distance) C4'-P energy: -36.321
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -206.756171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.756171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.756171 (E_RNA)
where:
Base-Base interactions energy: -68.969
where: short stacking energy: -67.647
Base-Backbone interact. energy: -1.045
local terms energy: -136.741249
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -38.450
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: 0.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -194.078391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.078391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.078391 (E_RNA)
where:
Base-Base interactions energy: -75.747
where: short stacking energy: -50.295
Base-Backbone interact. energy: 0.045
local terms energy: -118.376704
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -40.304
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: 10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -908.969247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.969247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.969247 (E_RNA)
where:
Base-Base interactions energy: -638.664
where: short stacking energy: -270.958
Base-Backbone interact. energy: -0.474
local terms energy: -269.830722
where:
bonds (distance) C4'-P energy: -46.020
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -51.737
flat angles P-C4'-P energy: -36.063
tors. eta vs tors. theta energy: -82.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -895.771393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.771393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.771393 (E_RNA)
where:
Base-Base interactions energy: -621.485
where: short stacking energy: -267.138
Base-Backbone interact. energy: -0.131
local terms energy: -274.155866
where:
bonds (distance) C4'-P energy: -46.031
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -52.974
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: -86.211
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: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -867.990420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.990420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.990420 (E_RNA)
where:
Base-Base interactions energy: -613.599
where: short stacking energy: -257.386
Base-Backbone interact. energy: -0.642
local terms energy: -253.748879
where:
bonds (distance) C4'-P energy: -38.496
bonds (distance) P-C4' energy: -45.102
flat angles C4'-P-C4' energy: -49.923
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -75.856
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: 10
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -768.548392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.548392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.548392 (E_RNA)
where:
Base-Base interactions energy: -523.340
where: short stacking energy: -223.766
Base-Backbone interact. energy: -0.881
local terms energy: -244.327039
where:
bonds (distance) C4'-P energy: -43.410
bonds (distance) P-C4' energy: -52.656
flat angles C4'-P-C4' energy: -46.271
flat angles P-C4'-P energy: -31.361
tors. eta vs tors. theta energy: -70.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -740.444869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.444869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.444869 (E_RNA)
where:
Base-Base interactions energy: -517.665
where: short stacking energy: -212.252
Base-Backbone interact. energy: -0.880
local terms energy: -221.900208
where:
bonds (distance) C4'-P energy: -42.126
bonds (distance) P-C4' energy: -40.877
flat angles C4'-P-C4' energy: -39.581
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -66.087
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: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -692.008102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.008102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.008102 (E_RNA)
where:
Base-Base interactions energy: -479.117
where: short stacking energy: -198.679
Base-Backbone interact. energy: -0.664
local terms energy: -212.227052
where:
bonds (distance) C4'-P energy: -33.080
bonds (distance) P-C4' energy: -45.824
flat angles C4'-P-C4' energy: -48.953
flat angles P-C4'-P energy: -19.877
tors. eta vs tors. theta energy: -64.493
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -527.316107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.316107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.316107 (E_RNA)
where:
Base-Base interactions energy: -331.099
where: short stacking energy: -160.038
Base-Backbone interact. energy: -0.040
local terms energy: -196.177105
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -44.802
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: -40.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -468.027491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.027491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.027491 (E_RNA)
where:
Base-Base interactions energy: -291.029
where: short stacking energy: -152.954
Base-Backbone interact. energy: -0.940
local terms energy: -176.058597
where:
bonds (distance) C4'-P energy: -46.858
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -37.146
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -219.863173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.863173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.863173 (E_RNA)
where:
Base-Base interactions energy: -75.254
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.530
local terms energy: -144.079371
where:
bonds (distance) C4'-P energy: -36.554
bonds (distance) P-C4' energy: -39.928
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -195.233584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.233584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.233584 (E_RNA)
where:
Base-Base interactions energy: -71.087
where: short stacking energy: -48.599
Base-Backbone interact. energy: -1.310
local terms energy: -122.836690
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -39.859
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: 13.016
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: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -909.646072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.646072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.646072 (E_RNA)
where:
Base-Base interactions energy: -632.586
where: short stacking energy: -268.963
Base-Backbone interact. energy: -0.944
local terms energy: -276.115712
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -44.048
flat angles C4'-P-C4' energy: -58.938
flat angles P-C4'-P energy: -42.031
tors. eta vs tors. theta energy: -86.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -909.734829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.734829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.734829 (E_RNA)
where:
Base-Base interactions energy: -631.872
where: short stacking energy: -276.702
Base-Backbone interact. energy: -0.199
local terms energy: -277.663742
where:
bonds (distance) C4'-P energy: -54.663
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -51.948
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -86.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -889.082344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.082344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.082344 (E_RNA)
where:
Base-Base interactions energy: -630.154
where: short stacking energy: -268.301
Base-Backbone interact. energy: -0.438
local terms energy: -258.490759
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -48.871
flat angles C4'-P-C4' energy: -56.747
flat angles P-C4'-P energy: -34.844
tors. eta vs tors. theta energy: -81.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -780.072435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.072435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.072435 (E_RNA)
where:
Base-Base interactions energy: -542.214
where: short stacking energy: -230.031
Base-Backbone interact. energy: -1.465
local terms energy: -236.393133
where:
bonds (distance) C4'-P energy: -33.855
bonds (distance) P-C4' energy: -39.510
flat angles C4'-P-C4' energy: -54.218
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -69.672
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: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -744.977531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.977531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.977531 (E_RNA)
where:
Base-Base interactions energy: -522.325
where: short stacking energy: -211.490
Base-Backbone interact. energy: -0.754
local terms energy: -221.898646
where:
bonds (distance) C4'-P energy: -42.267
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -27.824
tors. eta vs tors. theta energy: -63.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -713.606342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.606342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.606342 (E_RNA)
where:
Base-Base interactions energy: -485.333
where: short stacking energy: -216.610
Base-Backbone interact. energy: -0.447
local terms energy: -227.825855
where:
bonds (distance) C4'-P energy: -44.448
bonds (distance) P-C4' energy: -40.772
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -27.865
tors. eta vs tors. theta energy: -58.415
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: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -527.268254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.268254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.268254 (E_RNA)
where:
Base-Base interactions energy: -319.148
where: short stacking energy: -152.920
Base-Backbone interact. energy: 0.616
local terms energy: -208.736665
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -49.657
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -45.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -450.900978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.900978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.900978 (E_RNA)
where:
Base-Base interactions energy: -275.337
where: short stacking energy: -138.837
Base-Backbone interact. energy: -1.814
local terms energy: -173.750122
where:
bonds (distance) C4'-P energy: -28.836
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -42.796
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -235.451198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.451198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.451198 (E_RNA)
where:
Base-Base interactions energy: -116.534
where: short stacking energy: -70.395
Base-Backbone interact. energy: 1.629
local terms energy: -120.545792
where:
bonds (distance) C4'-P energy: -30.197
bonds (distance) P-C4' energy: -37.014
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -200.881205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.881205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.881205 (E_RNA)
where:
Base-Base interactions energy: -80.083
where: short stacking energy: -47.361
Base-Backbone interact. energy: 1.224
local terms energy: -122.022368
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -41.839
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: 2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -912.805623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.805623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.805623 (E_RNA)
where:
Base-Base interactions energy: -654.269
where: short stacking energy: -274.206
Base-Backbone interact. energy: -0.464
local terms energy: -258.072434
where:
bonds (distance) C4'-P energy: -39.342
bonds (distance) P-C4' energy: -43.648
flat angles C4'-P-C4' energy: -51.896
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: -85.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -879.625676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.625676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.625676 (E_RNA)
where:
Base-Base interactions energy: -625.756
where: short stacking energy: -262.613
Base-Backbone interact. energy: -0.006
local terms energy: -253.862926
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -41.136
flat angles C4'-P-C4' energy: -52.355
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -81.504
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: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -891.767699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.767699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.767699 (E_RNA)
where:
Base-Base interactions energy: -623.660
where: short stacking energy: -269.013
Base-Backbone interact. energy: -0.706
local terms energy: -267.401458
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -44.986
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -41.539
tors. eta vs tors. theta energy: -82.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -778.244740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.244740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.244740 (E_RNA)
where:
Base-Base interactions energy: -538.246
where: short stacking energy: -240.080
Base-Backbone interact. energy: -0.390
local terms energy: -239.608495
where:
bonds (distance) C4'-P energy: -39.627
bonds (distance) P-C4' energy: -39.326
flat angles C4'-P-C4' energy: -50.084
flat angles P-C4'-P energy: -36.143
tors. eta vs tors. theta energy: -74.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -726.266669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.266669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.266669 (E_RNA)
where:
Base-Base interactions energy: -493.326
where: short stacking energy: -219.080
Base-Backbone interact. energy: 1.460
local terms energy: -234.401311
where:
bonds (distance) C4'-P energy: -30.726
bonds (distance) P-C4' energy: -43.486
flat angles C4'-P-C4' energy: -55.209
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -62.821
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: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -736.891655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.891655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.891655 (E_RNA)
where:
Base-Base interactions energy: -509.693
where: short stacking energy: -212.873
Base-Backbone interact. energy: -0.496
local terms energy: -226.702939
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -46.880
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -66.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -516.927624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.927624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.927624 (E_RNA)
where:
Base-Base interactions energy: -335.852
where: short stacking energy: -156.089
Base-Backbone interact. energy: 0.026
local terms energy: -181.101500
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -37.810
flat angles C4'-P-C4' energy: -44.650
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -422.032769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.032769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.032769 (E_RNA)
where:
Base-Base interactions energy: -245.572
where: short stacking energy: -123.274
Base-Backbone interact. energy: 1.210
local terms energy: -177.671218
where:
bonds (distance) C4'-P energy: -44.618
bonds (distance) P-C4' energy: -36.029
flat angles C4'-P-C4' energy: -45.199
flat angles P-C4'-P energy: -28.406
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: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -221.060004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.060004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.060004 (E_RNA)
where:
Base-Base interactions energy: -67.487
where: short stacking energy: -62.346
Base-Backbone interact. energy: -1.439
local terms energy: -152.133798
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -45.230
flat angles C4'-P-C4' energy: -37.721
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -6.075
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: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -256.256846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.256846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.256846 (E_RNA)
where:
Base-Base interactions energy: -122.887
where: short stacking energy: -68.596
Base-Backbone interact. energy: -1.268
local terms energy: -132.101991
where:
bonds (distance) C4'-P energy: -37.260
bonds (distance) P-C4' energy: -38.933
flat angles C4'-P-C4' energy: -29.996
flat angles P-C4'-P energy: -25.321
tors. eta vs tors. theta energy: -0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -908.943106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.943106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.943106 (E_RNA)
where:
Base-Base interactions energy: -640.457
where: short stacking energy: -268.254
Base-Backbone interact. energy: -0.632
local terms energy: -267.854038
where:
bonds (distance) C4'-P energy: -46.274
bonds (distance) P-C4' energy: -52.063
flat angles C4'-P-C4' energy: -51.915
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -80.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -900.938626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.938626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.938626 (E_RNA)
where:
Base-Base interactions energy: -640.351
where: short stacking energy: -272.838
Base-Backbone interact. energy: -0.117
local terms energy: -260.470988
where:
bonds (distance) C4'-P energy: -41.590
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -34.866
tors. eta vs tors. theta energy: -83.906
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: 7
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -882.051383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.051383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.051383 (E_RNA)
where:
Base-Base interactions energy: -615.202
where: short stacking energy: -265.512
Base-Backbone interact. energy: -1.487
local terms energy: -265.362181
where:
bonds (distance) C4'-P energy: -40.849
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -52.568
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -82.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -778.573333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.573333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.573333 (E_RNA)
where:
Base-Base interactions energy: -529.444
where: short stacking energy: -219.835
Base-Backbone interact. energy: -0.263
local terms energy: -248.866645
where:
bonds (distance) C4'-P energy: -47.101
bonds (distance) P-C4' energy: -44.475
flat angles C4'-P-C4' energy: -50.901
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -67.214
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: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -699.810973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.810973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.810973 (E_RNA)
where:
Base-Base interactions energy: -485.630
where: short stacking energy: -216.995
Base-Backbone interact. energy: -0.300
local terms energy: -213.880664
where:
bonds (distance) C4'-P energy: -34.582
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -39.945
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -61.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -723.096824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.096824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.096824 (E_RNA)
where:
Base-Base interactions energy: -492.626
where: short stacking energy: -211.450
Base-Backbone interact. energy: -1.911
local terms energy: -228.559248
where:
bonds (distance) C4'-P energy: -24.951
bonds (distance) P-C4' energy: -46.058
flat angles C4'-P-C4' energy: -51.050
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -67.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -503.469411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.469411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.469411 (E_RNA)
where:
Base-Base interactions energy: -301.607
where: short stacking energy: -145.909
Base-Backbone interact. energy: 3.757
local terms energy: -205.619057
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -46.916
flat angles C4'-P-C4' energy: -44.866
flat angles P-C4'-P energy: -35.486
tors. eta vs tors. theta energy: -34.783
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: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -426.227178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.227178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.227178 (E_RNA)
where:
Base-Base interactions energy: -255.727
where: short stacking energy: -129.643
Base-Backbone interact. energy: -0.521
local terms energy: -169.979028
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -45.263
flat angles C4'-P-C4' energy: -32.194
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -210.381692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.381692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.381692 (E_RNA)
where:
Base-Base interactions energy: -87.652
where: short stacking energy: -84.815
Base-Backbone interact. energy: -0.589
local terms energy: -122.140756
where:
bonds (distance) C4'-P energy: -31.246
bonds (distance) P-C4' energy: -35.625
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -269.771013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.771013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.771013 (E_RNA)
where:
Base-Base interactions energy: -124.421
where: short stacking energy: -78.136
Base-Backbone interact. energy: -0.508
local terms energy: -144.841966
where:
bonds (distance) C4'-P energy: -32.581
bonds (distance) P-C4' energy: -41.901
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -934.383429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.383429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.383429 (E_RNA)
where:
Base-Base interactions energy: -651.417
where: short stacking energy: -271.923
Base-Backbone interact. energy: -0.345
local terms energy: -282.621533
where:
bonds (distance) C4'-P energy: -52.734
bonds (distance) P-C4' energy: -48.731
flat angles C4'-P-C4' energy: -56.614
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -85.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -893.150147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.150147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.150147 (E_RNA)
where:
Base-Base interactions energy: -621.266
where: short stacking energy: -258.278
Base-Backbone interact. energy: -1.505
local terms energy: -270.379110
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -46.471
tors. eta vs tors. theta energy: -79.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -875.847898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.847898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.847898 (E_RNA)
where:
Base-Base interactions energy: -611.752
where: short stacking energy: -248.849
Base-Backbone interact. energy: -0.030
local terms energy: -264.065672
where:
bonds (distance) C4'-P energy: -50.244
bonds (distance) P-C4' energy: -41.236
flat angles C4'-P-C4' energy: -52.958
flat angles P-C4'-P energy: -39.203
tors. eta vs tors. theta energy: -80.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -783.475752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.475752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.475752 (E_RNA)
where:
Base-Base interactions energy: -535.608
where: short stacking energy: -228.543
Base-Backbone interact. energy: -1.312
local terms energy: -246.555713
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -42.100
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -35.950
tors. eta vs tors. theta energy: -71.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -739.221636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.221636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.221636 (E_RNA)
where:
Base-Base interactions energy: -529.097
where: short stacking energy: -224.863
Base-Backbone interact. energy: 0.902
local terms energy: -211.026615
where:
bonds (distance) C4'-P energy: -33.122
bonds (distance) P-C4' energy: -40.022
flat angles C4'-P-C4' energy: -48.232
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -61.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -693.782668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.782668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.782668 (E_RNA)
where:
Base-Base interactions energy: -463.454
where: short stacking energy: -193.590
Base-Backbone interact. energy: -0.736
local terms energy: -229.592642
where:
bonds (distance) C4'-P energy: -42.488
bonds (distance) P-C4' energy: -45.047
flat angles C4'-P-C4' energy: -51.035
flat angles P-C4'-P energy: -37.645
tors. eta vs tors. theta energy: -53.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -525.753944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.753944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.753944 (E_RNA)
where:
Base-Base interactions energy: -342.208
where: short stacking energy: -165.810
Base-Backbone interact. energy: 0.379
local terms energy: -183.925593
where:
bonds (distance) C4'-P energy: -36.474
bonds (distance) P-C4' energy: -37.464
flat angles C4'-P-C4' energy: -42.119
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -38.683
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: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -474.872119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.872119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.872119 (E_RNA)
where:
Base-Base interactions energy: -329.083
where: short stacking energy: -133.687
Base-Backbone interact. energy: -0.564
local terms energy: -145.224275
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -29.031
flat angles C4'-P-C4' energy: -36.915
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -291.214582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.214582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.214582 (E_RNA)
where:
Base-Base interactions energy: -143.680
where: short stacking energy: -84.139
Base-Backbone interact. energy: -0.308
local terms energy: -147.227321
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -22.386
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -199.412664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.412664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.412664 (E_RNA)
where:
Base-Base interactions energy: -59.957
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.477
local terms energy: -138.978923
where:
bonds (distance) C4'-P energy: -30.910
bonds (distance) P-C4' energy: -41.013
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -911.263361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.263361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.263361 (E_RNA)
where:
Base-Base interactions energy: -648.118
where: short stacking energy: -284.654
Base-Backbone interact. energy: -0.700
local terms energy: -262.445531
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -82.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -877.796785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.796785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.796785 (E_RNA)
where:
Base-Base interactions energy: -623.535
where: short stacking energy: -261.657
Base-Backbone interact. energy: -0.776
local terms energy: -253.485933
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -41.964
flat angles C4'-P-C4' energy: -56.280
flat angles P-C4'-P energy: -39.583
tors. eta vs tors. theta energy: -78.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -891.701764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.701764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.701764 (E_RNA)
where:
Base-Base interactions energy: -630.417
where: short stacking energy: -262.781
Base-Backbone interact. energy: -0.572
local terms energy: -260.712481
where:
bonds (distance) C4'-P energy: -44.130
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -47.125
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: -80.191
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: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -787.669677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.669677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.669677 (E_RNA)
where:
Base-Base interactions energy: -556.615
where: short stacking energy: -232.234
Base-Backbone interact. energy: -1.039
local terms energy: -230.015104
where:
bonds (distance) C4'-P energy: -37.502
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -68.254
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: 381
Temperature: 1.100000
Total energy: -751.699429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.699429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.699429 (E_RNA)
where:
Base-Base interactions energy: -530.269
where: short stacking energy: -224.581
Base-Backbone interact. energy: -0.944
local terms energy: -220.486397
where:
bonds (distance) C4'-P energy: -41.021
bonds (distance) P-C4' energy: -36.234
flat angles C4'-P-C4' energy: -48.152
flat angles P-C4'-P energy: -33.349
tors. eta vs tors. theta energy: -61.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -713.434238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.434238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.434238 (E_RNA)
where:
Base-Base interactions energy: -499.108
where: short stacking energy: -194.640
Base-Backbone interact. energy: -0.646
local terms energy: -213.680447
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -51.100
flat angles P-C4'-P energy: -27.296
tors. eta vs tors. theta energy: -56.773
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: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -504.524838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.524838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.524838 (E_RNA)
where:
Base-Base interactions energy: -323.253
where: short stacking energy: -151.738
Base-Backbone interact. energy: -2.192
local terms energy: -179.079758
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -36.174
flat angles C4'-P-C4' energy: -47.183
flat angles P-C4'-P energy: -21.603
tors. eta vs tors. theta energy: -35.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -442.779331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.779331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.779331 (E_RNA)
where:
Base-Base interactions energy: -268.926
where: short stacking energy: -131.825
Base-Backbone interact. energy: -0.657
local terms energy: -173.196325
where:
bonds (distance) C4'-P energy: -41.502
bonds (distance) P-C4' energy: -33.921
flat angles C4'-P-C4' energy: -44.423
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -28.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -280.272687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.272687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.272687 (E_RNA)
where:
Base-Base interactions energy: -142.699
where: short stacking energy: -96.540
Base-Backbone interact. energy: -1.704
local terms energy: -135.869790
where:
bonds (distance) C4'-P energy: -33.531
bonds (distance) P-C4' energy: -39.190
flat angles C4'-P-C4' energy: -33.374
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -208.627043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.627043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.627043 (E_RNA)
where:
Base-Base interactions energy: -77.032
where: short stacking energy: -70.865
Base-Backbone interact. energy: 0.287
local terms energy: -131.882903
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -923.031663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.031663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.031663 (E_RNA)
where:
Base-Base interactions energy: -656.283
where: short stacking energy: -272.071
Base-Backbone interact. energy: -0.673
local terms energy: -266.076113
where:
bonds (distance) C4'-P energy: -44.735
bonds (distance) P-C4' energy: -45.930
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -36.893
tors. eta vs tors. theta energy: -82.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -896.227817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.227817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.227817 (E_RNA)
where:
Base-Base interactions energy: -630.085
where: short stacking energy: -263.518
Base-Backbone interact. energy: -0.247
local terms energy: -265.895485
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -54.951
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -83.882
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: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -864.887086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.887086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.887086 (E_RNA)
where:
Base-Base interactions energy: -622.026
where: short stacking energy: -254.126
Base-Backbone interact. energy: -0.025
local terms energy: -242.836657
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -52.888
flat angles P-C4'-P energy: -35.162
tors. eta vs tors. theta energy: -72.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -778.582315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.582315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.582315 (E_RNA)
where:
Base-Base interactions energy: -546.530
where: short stacking energy: -227.076
Base-Backbone interact. energy: 2.698
local terms energy: -234.750898
where:
bonds (distance) C4'-P energy: -47.838
bonds (distance) P-C4' energy: -45.568
flat angles C4'-P-C4' energy: -43.863
flat angles P-C4'-P energy: -32.257
tors. eta vs tors. theta energy: -65.226
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: 382
Temperature: 1.100000
Total energy: -748.556511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.556511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.556511 (E_RNA)
where:
Base-Base interactions energy: -524.594
where: short stacking energy: -241.474
Base-Backbone interact. energy: -0.408
local terms energy: -223.554898
where:
bonds (distance) C4'-P energy: -35.559
bonds (distance) P-C4' energy: -39.065
flat angles C4'-P-C4' energy: -51.012
flat angles P-C4'-P energy: -31.381
tors. eta vs tors. theta energy: -66.538
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -695.741806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.741806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.741806 (E_RNA)
where:
Base-Base interactions energy: -484.565
where: short stacking energy: -205.121
Base-Backbone interact. energy: -0.324
local terms energy: -210.852941
where:
bonds (distance) C4'-P energy: -35.417
bonds (distance) P-C4' energy: -42.078
flat angles C4'-P-C4' energy: -42.420
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: -60.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -521.577709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.577709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.577709 (E_RNA)
where:
Base-Base interactions energy: -342.679
where: short stacking energy: -166.496
Base-Backbone interact. energy: -1.116
local terms energy: -177.782641
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -43.635
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -41.642
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: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -417.191684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.191684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.191684 (E_RNA)
where:
Base-Base interactions energy: -255.472
where: short stacking energy: -125.686
Base-Backbone interact. energy: -0.926
local terms energy: -160.793536
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -41.378
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -22.536
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: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -211.197087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.197087 (E_RNA)
where:
Base-Base interactions energy: -80.318
where: short stacking energy: -69.071
Base-Backbone interact. energy: 2.247
local terms energy: -133.125752
where:
bonds (distance) C4'-P energy: -45.993
bonds (distance) P-C4' energy: -32.984
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -258.784310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.784310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.784310 (E_RNA)
where:
Base-Base interactions energy: -125.822
where: short stacking energy: -67.962
Base-Backbone interact. energy: -2.293
local terms energy: -130.669145
where:
bonds (distance) C4'-P energy: -30.080
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -922.654934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.654934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.654934 (E_RNA)
where:
Base-Base interactions energy: -655.709
where: short stacking energy: -273.554
Base-Backbone interact. energy: -0.966
local terms energy: -265.980111
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -42.743
flat angles C4'-P-C4' energy: -51.976
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: -84.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -891.935410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.935410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.935410 (E_RNA)
where:
Base-Base interactions energy: -625.863
where: short stacking energy: -272.310
Base-Backbone interact. energy: -1.815
local terms energy: -264.257398
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -44.113
flat angles C4'-P-C4' energy: -48.502
flat angles P-C4'-P energy: -35.120
tors. eta vs tors. theta energy: -85.667
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: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -888.001301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.001301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.001301 (E_RNA)
where:
Base-Base interactions energy: -624.766
where: short stacking energy: -263.927
Base-Backbone interact. energy: -0.467
local terms energy: -262.768517
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -47.765
flat angles C4'-P-C4' energy: -49.674
flat angles P-C4'-P energy: -37.905
tors. eta vs tors. theta energy: -82.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -780.051531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.051531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.051531 (E_RNA)
where:
Base-Base interactions energy: -545.282
where: short stacking energy: -226.251
Base-Backbone interact. energy: -0.665
local terms energy: -234.103764
where:
bonds (distance) C4'-P energy: -36.800
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -69.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -742.316641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.316641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.316641 (E_RNA)
where:
Base-Base interactions energy: -514.921
where: short stacking energy: -211.853
Base-Backbone interact. energy: 1.363
local terms energy: -228.758654
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -42.615
flat angles C4'-P-C4' energy: -44.431
flat angles P-C4'-P energy: -40.783
tors. eta vs tors. theta energy: -62.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -694.674156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.674156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.674156 (E_RNA)
where:
Base-Base interactions energy: -480.101
where: short stacking energy: -207.764
Base-Backbone interact. energy: -0.640
local terms energy: -213.932887
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -48.167
flat angles P-C4'-P energy: -29.451
tors. eta vs tors. theta energy: -53.493
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -538.724633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.724633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.724633 (E_RNA)
where:
Base-Base interactions energy: -339.790
where: short stacking energy: -152.444
Base-Backbone interact. energy: 1.748
local terms energy: -200.682159
where:
bonds (distance) C4'-P energy: -40.405
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -43.210
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -41.656
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: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -425.563314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.563314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.563314 (E_RNA)
where:
Base-Base interactions energy: -249.362
where: short stacking energy: -131.946
Base-Backbone interact. energy: -1.436
local terms energy: -174.765281
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -41.981
flat angles C4'-P-C4' energy: -46.465
flat angles P-C4'-P energy: -24.359
tors. eta vs tors. theta energy: -25.002
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: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -212.667239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.667239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.667239 (E_RNA)
where:
Base-Base interactions energy: -89.803
where: short stacking energy: -75.499
Base-Backbone interact. energy: -0.503
local terms energy: -122.360685
where:
bonds (distance) C4'-P energy: -29.353
bonds (distance) P-C4' energy: -38.379
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -196.009450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.009450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.009450 (E_RNA)
where:
Base-Base interactions energy: -70.545
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.157
local terms energy: -125.307633
where:
bonds (distance) C4'-P energy: -36.909
bonds (distance) P-C4' energy: -45.121
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -17.042
tors. eta vs tors. theta energy: 10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -911.096593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.096593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.096593 (E_RNA)
where:
Base-Base interactions energy: -644.347
where: short stacking energy: -268.413
Base-Backbone interact. energy: 0.244
local terms energy: -266.993369
where:
bonds (distance) C4'-P energy: -41.657
bonds (distance) P-C4' energy: -48.635
flat angles C4'-P-C4' energy: -53.119
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -84.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -891.651623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.651623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.651623 (E_RNA)
where:
Base-Base interactions energy: -635.574
where: short stacking energy: -261.050
Base-Backbone interact. energy: 0.214
local terms energy: -256.291605
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -49.406
flat angles C4'-P-C4' energy: -53.230
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -84.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -895.539609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.539609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.539609 (E_RNA)
where:
Base-Base interactions energy: -637.698
where: short stacking energy: -274.308
Base-Backbone interact. energy: -0.040
local terms energy: -257.801249
where:
bonds (distance) C4'-P energy: -47.581
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -83.733
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: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -782.203291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.203291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.203291 (E_RNA)
where:
Base-Base interactions energy: -537.613
where: short stacking energy: -235.771
Base-Backbone interact. energy: -0.602
local terms energy: -243.988379
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -40.557
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -34.269
tors. eta vs tors. theta energy: -69.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -721.882960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.882960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.882960 (E_RNA)
where:
Base-Base interactions energy: -497.169
where: short stacking energy: -213.228
Base-Backbone interact. energy: -0.110
local terms energy: -224.603354
where:
bonds (distance) C4'-P energy: -47.077
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -41.979
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -65.404
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: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -683.005537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.005537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.005537 (E_RNA)
where:
Base-Base interactions energy: -481.614
where: short stacking energy: -200.145
Base-Backbone interact. energy: 0.313
local terms energy: -201.704379
where:
bonds (distance) C4'-P energy: -38.420
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -47.452
flat angles P-C4'-P energy: -38.204
tors. eta vs tors. theta energy: -51.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -509.227379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.227379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.227379 (E_RNA)
where:
Base-Base interactions energy: -315.520
where: short stacking energy: -140.367
Base-Backbone interact. energy: -0.307
local terms energy: -193.400407
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -48.716
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -40.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -417.097594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.097594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.097594 (E_RNA)
where:
Base-Base interactions energy: -257.730
where: short stacking energy: -109.989
Base-Backbone interact. energy: -0.643
local terms energy: -158.724310
where:
bonds (distance) C4'-P energy: -43.414
bonds (distance) P-C4' energy: -36.753
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -206.458659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.458659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.458659 (E_RNA)
where:
Base-Base interactions energy: -50.805
where: short stacking energy: -50.805
Base-Backbone interact. energy: 1.710
local terms energy: -157.363361
where:
bonds (distance) C4'-P energy: -47.312
bonds (distance) P-C4' energy: -47.859
flat angles C4'-P-C4' energy: -33.049
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -223.006379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.006379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.006379 (E_RNA)
where:
Base-Base interactions energy: -78.230
where: short stacking energy: -60.177
Base-Backbone interact. energy: 6.248
local terms energy: -151.023596
where:
bonds (distance) C4'-P energy: -34.140
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -31.234
tors. eta vs tors. theta energy: -2.554
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: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -907.550641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.550641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.550641 (E_RNA)
where:
Base-Base interactions energy: -647.876
where: short stacking energy: -275.072
Base-Backbone interact. energy: -0.172
local terms energy: -259.502943
where:
bonds (distance) C4'-P energy: -41.889
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -52.908
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -82.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -894.755228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.755228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.755228 (E_RNA)
where:
Base-Base interactions energy: -636.907
where: short stacking energy: -284.103
Base-Backbone interact. energy: -0.346
local terms energy: -257.502608
where:
bonds (distance) C4'-P energy: -43.880
bonds (distance) P-C4' energy: -41.283
flat angles C4'-P-C4' energy: -49.408
flat angles P-C4'-P energy: -36.129
tors. eta vs tors. theta energy: -86.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -882.587507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.587507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.587507 (E_RNA)
where:
Base-Base interactions energy: -625.844
where: short stacking energy: -265.821
Base-Backbone interact. energy: -0.396
local terms energy: -256.347584
where:
bonds (distance) C4'-P energy: -46.080
bonds (distance) P-C4' energy: -45.080
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -82.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -772.341880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.341880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.341880 (E_RNA)
where:
Base-Base interactions energy: -539.858
where: short stacking energy: -225.337
Base-Backbone interact. energy: -0.531
local terms energy: -231.952493
where:
bonds (distance) C4'-P energy: -37.289
bonds (distance) P-C4' energy: -49.151
flat angles C4'-P-C4' energy: -48.946
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -60.981
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: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -741.644300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.644300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.644300 (E_RNA)
where:
Base-Base interactions energy: -497.128
where: short stacking energy: -213.011
Base-Backbone interact. energy: -0.295
local terms energy: -244.221066
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -44.468
flat angles C4'-P-C4' energy: -53.764
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -69.767
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: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -710.345280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.345280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.345280 (E_RNA)
where:
Base-Base interactions energy: -491.198
where: short stacking energy: -210.357
Base-Backbone interact. energy: -0.040
local terms energy: -219.107369
where:
bonds (distance) C4'-P energy: -47.731
bonds (distance) P-C4' energy: -38.667
flat angles C4'-P-C4' energy: -43.506
flat angles P-C4'-P energy: -26.439
tors. eta vs tors. theta energy: -62.765
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: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -567.450695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.450695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.450695 (E_RNA)
where:
Base-Base interactions energy: -373.105
where: short stacking energy: -148.114
Base-Backbone interact. energy: -0.382
local terms energy: -193.963147
where:
bonds (distance) C4'-P energy: -42.117
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -45.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -446.088863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.088863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.088863 (E_RNA)
where:
Base-Base interactions energy: -260.069
where: short stacking energy: -120.626
Base-Backbone interact. energy: -1.114
local terms energy: -184.905794
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -47.254
flat angles C4'-P-C4' energy: -42.015
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -33.747
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: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -211.838345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.838345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.838345 (E_RNA)
where:
Base-Base interactions energy: -78.848
where: short stacking energy: -65.323
Base-Backbone interact. energy: 1.247
local terms energy: -134.237985
where:
bonds (distance) C4'-P energy: -31.049
bonds (distance) P-C4' energy: -44.778
flat angles C4'-P-C4' energy: -37.820
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: 7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -204.598474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.598474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.598474 (E_RNA)
where:
Base-Base interactions energy: -80.783
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.881
local terms energy: -122.934457
where:
bonds (distance) C4'-P energy: -35.645
bonds (distance) P-C4' energy: -38.565
flat angles C4'-P-C4' energy: -42.303
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: 8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -908.856752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.856752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.856752 (E_RNA)
where:
Base-Base interactions energy: -640.701
where: short stacking energy: -272.283
Base-Backbone interact. energy: -0.241
local terms energy: -267.914076
where:
bonds (distance) C4'-P energy: -37.954
bonds (distance) P-C4' energy: -42.110
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -41.911
tors. eta vs tors. theta energy: -85.581
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: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -891.055871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.055871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.055871 (E_RNA)
where:
Base-Base interactions energy: -625.944
where: short stacking energy: -270.285
Base-Backbone interact. energy: -0.009
local terms energy: -265.102860
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -42.632
flat angles C4'-P-C4' energy: -48.579
flat angles P-C4'-P energy: -36.158
tors. eta vs tors. theta energy: -86.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -876.411384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.411384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.411384 (E_RNA)
where:
Base-Base interactions energy: -618.843
where: short stacking energy: -258.725
Base-Backbone interact. energy: -0.352
local terms energy: -257.215868
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -42.745
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -41.133
tors. eta vs tors. theta energy: -79.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -762.213030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.213030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.213030 (E_RNA)
where:
Base-Base interactions energy: -533.979
where: short stacking energy: -226.468
Base-Backbone interact. energy: -0.549
local terms energy: -227.685174
where:
bonds (distance) C4'-P energy: -36.346
bonds (distance) P-C4' energy: -43.063
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -39.362
tors. eta vs tors. theta energy: -66.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -746.306174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.306174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.306174 (E_RNA)
where:
Base-Base interactions energy: -517.277
where: short stacking energy: -218.957
Base-Backbone interact. energy: -0.359
local terms energy: -228.669582
where:
bonds (distance) C4'-P energy: -43.939
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -48.336
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -60.009
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: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -701.626797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.626797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.626797 (E_RNA)
where:
Base-Base interactions energy: -478.119
where: short stacking energy: -211.271
Base-Backbone interact. energy: -0.551
local terms energy: -222.957509
where:
bonds (distance) C4'-P energy: -38.175
bonds (distance) P-C4' energy: -43.864
flat angles C4'-P-C4' energy: -50.668
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -58.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -597.905128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.905128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.905128 (E_RNA)
where:
Base-Base interactions energy: -410.615
where: short stacking energy: -167.018
Base-Backbone interact. energy: -0.005
local terms energy: -187.285487
where:
bonds (distance) C4'-P energy: -36.512
bonds (distance) P-C4' energy: -42.583
flat angles C4'-P-C4' energy: -38.465
flat angles P-C4'-P energy: -27.723
tors. eta vs tors. theta energy: -42.002
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: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -458.105837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.105837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.105837 (E_RNA)
where:
Base-Base interactions energy: -270.403
where: short stacking energy: -136.826
Base-Backbone interact. energy: -0.439
local terms energy: -187.263292
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -46.729
flat angles P-C4'-P energy: -23.546
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: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -214.079278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.079278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.079278 (E_RNA)
where:
Base-Base interactions energy: -77.157
where: short stacking energy: -73.302
Base-Backbone interact. energy: 0.681
local terms energy: -137.603245
where:
bonds (distance) C4'-P energy: -35.747
bonds (distance) P-C4' energy: -44.289
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -206.823152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.823152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.823152 (E_RNA)
where:
Base-Base interactions energy: -73.311
where: short stacking energy: -70.988
Base-Backbone interact. energy: -0.837
local terms energy: -132.675306
where:
bonds (distance) C4'-P energy: -40.331
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -33.850
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: 4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -901.988235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.988235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.988235 (E_RNA)
where:
Base-Base interactions energy: -635.247
where: short stacking energy: -275.510
Base-Backbone interact. energy: -0.058
local terms energy: -266.683494
where:
bonds (distance) C4'-P energy: -43.384
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -53.436
flat angles P-C4'-P energy: -36.761
tors. eta vs tors. theta energy: -86.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -888.270082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.270082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.270082 (E_RNA)
where:
Base-Base interactions energy: -625.170
where: short stacking energy: -269.905
Base-Backbone interact. energy: -0.214
local terms energy: -262.885657
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -48.042
flat angles C4'-P-C4' energy: -55.818
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -84.558
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -892.778598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.778598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.778598 (E_RNA)
where:
Base-Base interactions energy: -630.010
where: short stacking energy: -263.943
Base-Backbone interact. energy: -0.186
local terms energy: -262.583152
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -49.646
flat angles C4'-P-C4' energy: -52.086
flat angles P-C4'-P energy: -34.872
tors. eta vs tors. theta energy: -84.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -766.969644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.969644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.969644 (E_RNA)
where:
Base-Base interactions energy: -540.682
where: short stacking energy: -213.747
Base-Backbone interact. energy: -1.112
local terms energy: -225.175495
where:
bonds (distance) C4'-P energy: -42.242
bonds (distance) P-C4' energy: -41.687
flat angles C4'-P-C4' energy: -48.161
flat angles P-C4'-P energy: -29.460
tors. eta vs tors. theta energy: -63.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -775.338877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.338877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.338877 (E_RNA)
where:
Base-Base interactions energy: -538.990
where: short stacking energy: -217.423
Base-Backbone interact. energy: 0.253
local terms energy: -236.602113
where:
bonds (distance) C4'-P energy: -48.185
bonds (distance) P-C4' energy: -41.074
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -66.543
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: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -695.772795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.772795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.772795 (E_RNA)
where:
Base-Base interactions energy: -481.937
where: short stacking energy: -203.590
Base-Backbone interact. energy: -1.881
local terms energy: -211.954611
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -46.823
flat angles C4'-P-C4' energy: -45.062
flat angles P-C4'-P energy: -30.692
tors. eta vs tors. theta energy: -56.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -623.158276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.158276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.158276 (E_RNA)
where:
Base-Base interactions energy: -416.571
where: short stacking energy: -170.833
Base-Backbone interact. energy: 0.670
local terms energy: -207.257358
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -45.420
flat angles P-C4'-P energy: -33.165
tors. eta vs tors. theta energy: -49.404
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: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -458.615803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.615803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.615803 (E_RNA)
where:
Base-Base interactions energy: -276.924
where: short stacking energy: -130.192
Base-Backbone interact. energy: -0.428
local terms energy: -181.264029
where:
bonds (distance) C4'-P energy: -35.076
bonds (distance) P-C4' energy: -44.145
flat angles C4'-P-C4' energy: -49.353
flat angles P-C4'-P energy: -23.240
tors. eta vs tors. theta energy: -29.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -208.969752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.969752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.969752 (E_RNA)
where:
Base-Base interactions energy: -69.275
where: short stacking energy: -59.078
Base-Backbone interact. energy: -1.887
local terms energy: -137.807627
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -42.789
flat angles P-C4'-P energy: -16.138
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: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -214.638926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.638926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.638926 (E_RNA)
where:
Base-Base interactions energy: -84.094
where: short stacking energy: -43.763
Base-Backbone interact. energy: -0.956
local terms energy: -129.589049
where:
bonds (distance) C4'-P energy: -44.299
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: 7.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -927.635569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.635569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.635569 (E_RNA)
where:
Base-Base interactions energy: -658.271
where: short stacking energy: -281.351
Base-Backbone interact. energy: -0.009
local terms energy: -269.355796
where:
bonds (distance) C4'-P energy: -42.385
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -85.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -903.802799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.802799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.802799 (E_RNA)
where:
Base-Base interactions energy: -640.848
where: short stacking energy: -276.384
Base-Backbone interact. energy: -0.090
local terms energy: -262.864926
where:
bonds (distance) C4'-P energy: -41.629
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -58.664
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -86.756
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: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -879.251055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.251055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.251055 (E_RNA)
where:
Base-Base interactions energy: -615.128
where: short stacking energy: -258.964
Base-Backbone interact. energy: -0.918
local terms energy: -263.204696
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -43.883
flat angles C4'-P-C4' energy: -52.031
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: -81.151
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: 388
Temperature: 1.050000
Total energy: -783.375984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.375984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.375984 (E_RNA)
where:
Base-Base interactions energy: -541.957
where: short stacking energy: -237.408
Base-Backbone interact. energy: -0.570
local terms energy: -240.849359
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -42.391
flat angles C4'-P-C4' energy: -53.499
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -66.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -752.424236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.424236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.424236 (E_RNA)
where:
Base-Base interactions energy: -534.215
where: short stacking energy: -220.195
Base-Backbone interact. energy: -0.588
local terms energy: -217.620830
where:
bonds (distance) C4'-P energy: -39.522
bonds (distance) P-C4' energy: -39.400
flat angles C4'-P-C4' energy: -44.753
flat angles P-C4'-P energy: -29.156
tors. eta vs tors. theta energy: -64.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -684.133130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.133130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.133130 (E_RNA)
where:
Base-Base interactions energy: -462.172
where: short stacking energy: -205.532
Base-Backbone interact. energy: -0.140
local terms energy: -221.820617
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -46.575
flat angles C4'-P-C4' energy: -50.808
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -56.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -617.223927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.223927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.223927 (E_RNA)
where:
Base-Base interactions energy: -427.335
where: short stacking energy: -177.585
Base-Backbone interact. energy: -1.179
local terms energy: -188.710369
where:
bonds (distance) C4'-P energy: -35.812
bonds (distance) P-C4' energy: -40.860
flat angles C4'-P-C4' energy: -46.114
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -46.561
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -483.526490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.526490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.526490 (E_RNA)
where:
Base-Base interactions energy: -308.884
where: short stacking energy: -153.864
Base-Backbone interact. energy: -0.170
local terms energy: -174.472325
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -32.877
flat angles C4'-P-C4' energy: -47.462
flat angles P-C4'-P energy: -20.755
tors. eta vs tors. theta energy: -36.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -216.797841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.797841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.797841 (E_RNA)
where:
Base-Base interactions energy: -83.402
where: short stacking energy: -78.513
Base-Backbone interact. energy: -0.791
local terms energy: -132.604903
where:
bonds (distance) C4'-P energy: -32.587
bonds (distance) P-C4' energy: -36.625
flat angles C4'-P-C4' energy: -38.218
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -203.720224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.720224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.720224 (E_RNA)
where:
Base-Base interactions energy: -80.457
where: short stacking energy: -69.382
Base-Backbone interact. energy: 1.216
local terms energy: -124.479192
where:
bonds (distance) C4'-P energy: -37.302
bonds (distance) P-C4' energy: -50.323
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: 8.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -911.848948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.848948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.848948 (E_RNA)
where:
Base-Base interactions energy: -645.835
where: short stacking energy: -272.381
Base-Backbone interact. energy: -0.570
local terms energy: -265.443443
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -44.129
flat angles C4'-P-C4' energy: -53.704
flat angles P-C4'-P energy: -42.921
tors. eta vs tors. theta energy: -80.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -895.629447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.629447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.629447 (E_RNA)
where:
Base-Base interactions energy: -639.499
where: short stacking energy: -263.567
Base-Backbone interact. energy: -0.841
local terms energy: -255.288751
where:
bonds (distance) C4'-P energy: -38.056
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -55.378
flat angles P-C4'-P energy: -37.402
tors. eta vs tors. theta energy: -81.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -882.510956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.510956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.510956 (E_RNA)
where:
Base-Base interactions energy: -618.235
where: short stacking energy: -274.925
Base-Backbone interact. energy: -0.016
local terms energy: -264.260371
where:
bonds (distance) C4'-P energy: -44.525
bonds (distance) P-C4' energy: -38.033
flat angles C4'-P-C4' energy: -57.478
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -82.150
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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -768.910619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.910619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.910619 (E_RNA)
where:
Base-Base interactions energy: -529.607
where: short stacking energy: -213.946
Base-Backbone interact. energy: -0.566
local terms energy: -238.737366
where:
bonds (distance) C4'-P energy: -48.538
bonds (distance) P-C4' energy: -44.161
flat angles C4'-P-C4' energy: -48.995
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -65.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -740.189869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.189869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.189869 (E_RNA)
where:
Base-Base interactions energy: -520.107
where: short stacking energy: -217.269
Base-Backbone interact. energy: 0.547
local terms energy: -220.630171
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -44.110
flat angles C4'-P-C4' energy: -52.952
flat angles P-C4'-P energy: -27.568
tors. eta vs tors. theta energy: -59.467
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: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -693.426291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.426291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.426291 (E_RNA)
where:
Base-Base interactions energy: -473.734
where: short stacking energy: -197.650
Base-Backbone interact. energy: -0.414
local terms energy: -219.277699
where:
bonds (distance) C4'-P energy: -40.349
bonds (distance) P-C4' energy: -38.167
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -34.475
tors. eta vs tors. theta energy: -58.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -602.052376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.052376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.052376 (E_RNA)
where:
Base-Base interactions energy: -407.458
where: short stacking energy: -182.275
Base-Backbone interact. energy: -0.148
local terms energy: -194.446688
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -48.025
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -24.386
tors. eta vs tors. theta energy: -52.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -436.776981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.776981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.776981 (E_RNA)
where:
Base-Base interactions energy: -256.093
where: short stacking energy: -133.486
Base-Backbone interact. energy: -0.766
local terms energy: -179.918230
where:
bonds (distance) C4'-P energy: -41.370
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -32.293
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: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -207.918753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.918753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.918753 (E_RNA)
where:
Base-Base interactions energy: -67.611
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.537
local terms energy: -139.770741
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -39.283
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: 1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -189.801393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.801393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.801393 (E_RNA)
where:
Base-Base interactions energy: -63.777
where: short stacking energy: -57.299
Base-Backbone interact. energy: 0.156
local terms energy: -126.179997
where:
bonds (distance) C4'-P energy: -40.519
bonds (distance) P-C4' energy: -38.816
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: 1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -914.072207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.072207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.072207 (E_RNA)
where:
Base-Base interactions energy: -643.316
where: short stacking energy: -273.946
Base-Backbone interact. energy: 0.408
local terms energy: -271.163563
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -38.722
flat angles C4'-P-C4' energy: -57.892
flat angles P-C4'-P energy: -36.653
tors. eta vs tors. theta energy: -85.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -898.119016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.119016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.119016 (E_RNA)
where:
Base-Base interactions energy: -622.276
where: short stacking energy: -264.988
Base-Backbone interact. energy: -0.662
local terms energy: -275.181811
where:
bonds (distance) C4'-P energy: -46.934
bonds (distance) P-C4' energy: -45.324
flat angles C4'-P-C4' energy: -58.779
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -83.172
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: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -879.615262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.615262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.615262 (E_RNA)
where:
Base-Base interactions energy: -632.802
where: short stacking energy: -266.321
Base-Backbone interact. energy: -0.368
local terms energy: -246.444693
where:
bonds (distance) C4'-P energy: -31.985
bonds (distance) P-C4' energy: -44.652
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -35.195
tors. eta vs tors. theta energy: -81.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -792.218027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.218027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.218027 (E_RNA)
where:
Base-Base interactions energy: -562.469
where: short stacking energy: -238.752
Base-Backbone interact. energy: -0.126
local terms energy: -229.623018
where:
bonds (distance) C4'-P energy: -42.155
bonds (distance) P-C4' energy: -34.490
flat angles C4'-P-C4' energy: -45.819
flat angles P-C4'-P energy: -35.539
tors. eta vs tors. theta energy: -71.620
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -755.272186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.272186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.272186 (E_RNA)
where:
Base-Base interactions energy: -525.013
where: short stacking energy: -219.362
Base-Backbone interact. energy: -0.396
local terms energy: -229.863402
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -53.459
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -59.991
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: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -698.119192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.119192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.119192 (E_RNA)
where:
Base-Base interactions energy: -470.437
where: short stacking energy: -206.658
Base-Backbone interact. energy: -1.065
local terms energy: -226.616781
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -45.728
flat angles C4'-P-C4' energy: -48.300
flat angles P-C4'-P energy: -30.265
tors. eta vs tors. theta energy: -61.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -610.787189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.787189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.787189 (E_RNA)
where:
Base-Base interactions energy: -396.466
where: short stacking energy: -176.787
Base-Backbone interact. energy: -0.875
local terms energy: -213.445689
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -39.808
flat angles C4'-P-C4' energy: -49.385
flat angles P-C4'-P energy: -27.663
tors. eta vs tors. theta energy: -54.836
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: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -427.588415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.588415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.588415 (E_RNA)
where:
Base-Base interactions energy: -256.414
where: short stacking energy: -124.346
Base-Backbone interact. energy: 0.952
local terms energy: -172.126703
where:
bonds (distance) C4'-P energy: -38.009
bonds (distance) P-C4' energy: -51.272
flat angles C4'-P-C4' energy: -38.411
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: -20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -212.308726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.308726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.308726 (E_RNA)
where:
Base-Base interactions energy: -71.114
where: short stacking energy: -64.822
Base-Backbone interact. energy: -1.181
local terms energy: -140.012976
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -51.547
flat angles C4'-P-C4' energy: -42.668
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: 10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -211.440653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.440653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.440653 (E_RNA)
where:
Base-Base interactions energy: -67.845
where: short stacking energy: -57.992
Base-Backbone interact. energy: -1.923
local terms energy: -141.673146
where:
bonds (distance) C4'-P energy: -44.612
bonds (distance) P-C4' energy: -39.608
flat angles C4'-P-C4' energy: -35.913
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -918.491621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.491621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.491621 (E_RNA)
where:
Base-Base interactions energy: -639.059
where: short stacking energy: -271.275
Base-Backbone interact. energy: -0.152
local terms energy: -279.280390
where:
bonds (distance) C4'-P energy: -49.016
bonds (distance) P-C4' energy: -49.998
flat angles C4'-P-C4' energy: -52.104
flat angles P-C4'-P energy: -44.577
tors. eta vs tors. theta energy: -83.585
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: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -891.357287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.357287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.357287 (E_RNA)
where:
Base-Base interactions energy: -634.901
where: short stacking energy: -274.154
Base-Backbone interact. energy: -0.339
local terms energy: -256.117376
where:
bonds (distance) C4'-P energy: -35.108
bonds (distance) P-C4' energy: -43.241
flat angles C4'-P-C4' energy: -54.882
flat angles P-C4'-P energy: -34.995
tors. eta vs tors. theta energy: -87.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -874.075810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.075810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.075810 (E_RNA)
where:
Base-Base interactions energy: -616.919
where: short stacking energy: -262.305
Base-Backbone interact. energy: 0.065
local terms energy: -257.221036
where:
bonds (distance) C4'-P energy: -35.970
bonds (distance) P-C4' energy: -50.249
flat angles C4'-P-C4' energy: -47.209
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -84.243
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: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -801.775005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.775005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.775005 (E_RNA)
where:
Base-Base interactions energy: -553.164
where: short stacking energy: -238.837
Base-Backbone interact. energy: -1.672
local terms energy: -246.938069
where:
bonds (distance) C4'-P energy: -42.089
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -49.343
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -70.992
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: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -758.956455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.956455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.956455 (E_RNA)
where:
Base-Base interactions energy: -520.028
where: short stacking energy: -225.561
Base-Backbone interact. energy: -0.301
local terms energy: -238.627232
where:
bonds (distance) C4'-P energy: -40.215
bonds (distance) P-C4' energy: -44.935
flat angles C4'-P-C4' energy: -51.443
flat angles P-C4'-P energy: -36.417
tors. eta vs tors. theta energy: -65.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -681.124179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.124179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.124179 (E_RNA)
where:
Base-Base interactions energy: -475.757
where: short stacking energy: -206.016
Base-Backbone interact. energy: -0.465
local terms energy: -204.902245
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -51.869
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -63.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -631.536641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.536641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.536641 (E_RNA)
where:
Base-Base interactions energy: -438.529
where: short stacking energy: -217.209
Base-Backbone interact. energy: 1.124
local terms energy: -194.131131
where:
bonds (distance) C4'-P energy: -28.777
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -46.612
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: -59.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -406.768160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.768160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.768160 (E_RNA)
where:
Base-Base interactions energy: -237.787
where: short stacking energy: -116.231
Base-Backbone interact. energy: -0.645
local terms energy: -168.335511
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -38.794
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -218.309549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.309549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.309549 (E_RNA)
where:
Base-Base interactions energy: -74.393
where: short stacking energy: -66.138
Base-Backbone interact. energy: 4.168
local terms energy: -148.083935
where:
bonds (distance) C4'-P energy: -38.961
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -1.149
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: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -236.380879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.380879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.380879 (E_RNA)
where:
Base-Base interactions energy: -105.169
where: short stacking energy: -78.318
Base-Backbone interact. energy: -0.813
local terms energy: -130.399036
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -44.700
flat angles C4'-P-C4' energy: -29.992
flat angles P-C4'-P energy: -3.169
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: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -912.101325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.101325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.101325 (E_RNA)
where:
Base-Base interactions energy: -648.582
where: short stacking energy: -281.595
Base-Backbone interact. energy: -0.682
local terms energy: -262.837579
where:
bonds (distance) C4'-P energy: -48.101
bonds (distance) P-C4' energy: -39.467
flat angles C4'-P-C4' energy: -51.645
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -84.477
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: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -896.056212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.056212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.056212 (E_RNA)
where:
Base-Base interactions energy: -633.778
where: short stacking energy: -266.940
Base-Backbone interact. energy: -0.032
local terms energy: -262.246486
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -42.273
flat angles C4'-P-C4' energy: -53.225
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -81.632
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: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -879.488818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.488818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.488818 (E_RNA)
where:
Base-Base interactions energy: -615.303
where: short stacking energy: -263.802
Base-Backbone interact. energy: -0.814
local terms energy: -263.372144
where:
bonds (distance) C4'-P energy: -48.006
bonds (distance) P-C4' energy: -46.345
flat angles C4'-P-C4' energy: -56.844
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -76.905
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: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -776.113742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.113742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.113742 (E_RNA)
where:
Base-Base interactions energy: -536.324
where: short stacking energy: -222.036
Base-Backbone interact. energy: -1.832
local terms energy: -237.957786
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -47.981
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -68.661
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: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -737.739526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.739526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.739526 (E_RNA)
where:
Base-Base interactions energy: -512.260
where: short stacking energy: -220.112
Base-Backbone interact. energy: -0.748
local terms energy: -224.731363
where:
bonds (distance) C4'-P energy: -41.207
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -47.496
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -61.891
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: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -672.304704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.304704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.304704 (E_RNA)
where:
Base-Base interactions energy: -456.013
where: short stacking energy: -196.514
Base-Backbone interact. energy: -1.236
local terms energy: -215.055668
where:
bonds (distance) C4'-P energy: -42.353
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -40.424
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -48.243
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: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -579.208897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.208897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.208897 (E_RNA)
where:
Base-Base interactions energy: -397.597
where: short stacking energy: -176.822
Base-Backbone interact. energy: -1.138
local terms energy: -180.474449
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -33.470
flat angles C4'-P-C4' energy: -45.478
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -42.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -411.454165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.454165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.454165 (E_RNA)
where:
Base-Base interactions energy: -249.419
where: short stacking energy: -126.761
Base-Backbone interact. energy: 1.418
local terms energy: -163.453351
where:
bonds (distance) C4'-P energy: -32.623
bonds (distance) P-C4' energy: -41.231
flat angles C4'-P-C4' energy: -42.137
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -22.802
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -224.950885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.950885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.950885 (E_RNA)
where:
Base-Base interactions energy: -72.347
where: short stacking energy: -68.361
Base-Backbone interact. energy: -0.632
local terms energy: -151.972550
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -50.867
flat angles C4'-P-C4' energy: -37.082
flat angles P-C4'-P energy: -29.922
tors. eta vs tors. theta energy: 4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -212.018677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.018677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.018677 (E_RNA)
where:
Base-Base interactions energy: -86.902
where: short stacking energy: -79.253
Base-Backbone interact. energy: 0.385
local terms energy: -125.501614
where:
bonds (distance) C4'-P energy: -33.254
bonds (distance) P-C4' energy: -35.870
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -910.045252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.045252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.045252 (E_RNA)
where:
Base-Base interactions energy: -650.173
where: short stacking energy: -275.435
Base-Backbone interact. energy: -1.296
local terms energy: -258.575514
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -45.809
flat angles C4'-P-C4' energy: -49.962
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -82.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -883.203427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.203427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.203427 (E_RNA)
where:
Base-Base interactions energy: -617.791
where: short stacking energy: -266.976
Base-Backbone interact. energy: -0.278
local terms energy: -265.134552
where:
bonds (distance) C4'-P energy: -50.083
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -82.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -884.865867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.865867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.865867 (E_RNA)
where:
Base-Base interactions energy: -632.062
where: short stacking energy: -262.597
Base-Backbone interact. energy: -0.966
local terms energy: -251.837783
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -42.260
flat angles C4'-P-C4' energy: -52.408
flat angles P-C4'-P energy: -34.847
tors. eta vs tors. theta energy: -84.401
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: 393
Temperature: 1.050000
Total energy: -792.008903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.008903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.008903 (E_RNA)
where:
Base-Base interactions energy: -556.565
where: short stacking energy: -233.667
Base-Backbone interact. energy: -1.123
local terms energy: -234.320843
where:
bonds (distance) C4'-P energy: -34.887
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -50.491
flat angles P-C4'-P energy: -38.720
tors. eta vs tors. theta energy: -70.825
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: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -738.740056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.740056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.740056 (E_RNA)
where:
Base-Base interactions energy: -531.096
where: short stacking energy: -229.615
Base-Backbone interact. energy: -0.194
local terms energy: -207.450509
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -41.857
flat angles C4'-P-C4' energy: -45.775
flat angles P-C4'-P energy: -30.638
tors. eta vs tors. theta energy: -63.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -694.979050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.979050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.979050 (E_RNA)
where:
Base-Base interactions energy: -463.199
where: short stacking energy: -193.650
Base-Backbone interact. energy: -0.982
local terms energy: -230.798259
where:
bonds (distance) C4'-P energy: -45.952
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -51.941
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -53.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -596.923952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.923952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.923952 (E_RNA)
where:
Base-Base interactions energy: -394.756
where: short stacking energy: -178.299
Base-Backbone interact. energy: 2.442
local terms energy: -204.609498
where:
bonds (distance) C4'-P energy: -33.570
bonds (distance) P-C4' energy: -41.453
flat angles C4'-P-C4' energy: -42.962
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -56.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -430.358191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.358191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.358191 (E_RNA)
where:
Base-Base interactions energy: -284.415
where: short stacking energy: -124.423
Base-Backbone interact. energy: -0.570
local terms energy: -145.373612
where:
bonds (distance) C4'-P energy: -35.767
bonds (distance) P-C4' energy: -45.347
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -28.265
tors. eta vs tors. theta energy: -12.255
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: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -258.379221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.379221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.379221 (E_RNA)
where:
Base-Base interactions energy: -114.385
where: short stacking energy: -71.830
Base-Backbone interact. energy: 5.002
local terms energy: -148.996170
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -39.930
flat angles C4'-P-C4' energy: -37.931
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: 4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -208.136586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.136586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.136586 (E_RNA)
where:
Base-Base interactions energy: -87.863
where: short stacking energy: -66.786
Base-Backbone interact. energy: -1.458
local terms energy: -118.816553
where:
bonds (distance) C4'-P energy: -38.851
bonds (distance) P-C4' energy: -40.782
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: 2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -896.054221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.054221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.054221 (E_RNA)
where:
Base-Base interactions energy: -632.383
where: short stacking energy: -274.623
Base-Backbone interact. energy: -0.217
local terms energy: -263.453369
where:
bonds (distance) C4'-P energy: -39.405
bonds (distance) P-C4' energy: -47.430
flat angles C4'-P-C4' energy: -48.191
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -83.456
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: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -886.474141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.474141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.474141 (E_RNA)
where:
Base-Base interactions energy: -632.542
where: short stacking energy: -263.107
Base-Backbone interact. energy: -0.033
local terms energy: -253.899186
where:
bonds (distance) C4'-P energy: -36.163
bonds (distance) P-C4' energy: -44.626
flat angles C4'-P-C4' energy: -52.988
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -81.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -880.246684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.246684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.246684 (E_RNA)
where:
Base-Base interactions energy: -623.488
where: short stacking energy: -256.309
Base-Backbone interact. energy: -0.270
local terms energy: -256.488831
where:
bonds (distance) C4'-P energy: -37.743
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -49.972
flat angles P-C4'-P energy: -41.537
tors. eta vs tors. theta energy: -82.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -797.433846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.433846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.433846 (E_RNA)
where:
Base-Base interactions energy: -561.063
where: short stacking energy: -240.374
Base-Backbone interact. energy: -0.434
local terms energy: -235.937477
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -39.042
flat angles C4'-P-C4' energy: -52.372
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -66.444
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: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -748.831142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.831142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.831142 (E_RNA)
where:
Base-Base interactions energy: -534.874
where: short stacking energy: -227.466
Base-Backbone interact. energy: -0.123
local terms energy: -213.833874
where:
bonds (distance) C4'-P energy: -28.478
bonds (distance) P-C4' energy: -39.703
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -31.288
tors. eta vs tors. theta energy: -64.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -684.877721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.877721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.877721 (E_RNA)
where:
Base-Base interactions energy: -469.302
where: short stacking energy: -202.554
Base-Backbone interact. energy: -0.162
local terms energy: -215.413645
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -49.863
flat angles C4'-P-C4' energy: -44.436
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -60.838
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: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -571.071477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.071477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.071477 (E_RNA)
where:
Base-Base interactions energy: -366.722
where: short stacking energy: -169.540
Base-Backbone interact. energy: -0.692
local terms energy: -203.657550
where:
bonds (distance) C4'-P energy: -49.279
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -37.384
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: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -430.777434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.777434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.777434 (E_RNA)
where:
Base-Base interactions energy: -261.412
where: short stacking energy: -106.511
Base-Backbone interact. energy: -1.541
local terms energy: -167.824674
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -46.938
flat angles C4'-P-C4' energy: -37.454
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -221.794649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.794649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.794649 (E_RNA)
where:
Base-Base interactions energy: -94.821
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.542
local terms energy: -126.431863
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -46.651
flat angles C4'-P-C4' energy: -43.608
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: 5.669
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: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -227.922108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.922108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.922108 (E_RNA)
where:
Base-Base interactions energy: -105.228
where: short stacking energy: -75.166
Base-Backbone interact. energy: -0.812
local terms energy: -121.882129
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -40.174
flat angles C4'-P-C4' energy: -31.766
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -897.471583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.471583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.471583 (E_RNA)
where:
Base-Base interactions energy: -624.698
where: short stacking energy: -266.855
Base-Backbone interact. energy: 0.524
local terms energy: -273.297920
where:
bonds (distance) C4'-P energy: -43.127
bonds (distance) P-C4' energy: -55.592
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -81.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -913.756665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.756665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.756665 (E_RNA)
where:
Base-Base interactions energy: -643.076
where: short stacking energy: -279.048
Base-Backbone interact. energy: 3.175
local terms energy: -273.855522
where:
bonds (distance) C4'-P energy: -45.411
bonds (distance) P-C4' energy: -47.483
flat angles C4'-P-C4' energy: -56.461
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -87.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -878.776722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.776722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.776722 (E_RNA)
where:
Base-Base interactions energy: -624.890
where: short stacking energy: -270.543
Base-Backbone interact. energy: -0.015
local terms energy: -253.871700
where:
bonds (distance) C4'-P energy: -40.954
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -47.914
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -84.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -759.870273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.870273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.870273 (E_RNA)
where:
Base-Base interactions energy: -537.176
where: short stacking energy: -220.228
Base-Backbone interact. energy: -1.835
local terms energy: -220.859279
where:
bonds (distance) C4'-P energy: -45.523
bonds (distance) P-C4' energy: -39.434
flat angles C4'-P-C4' energy: -42.975
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -66.102
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -777.118683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.118683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.118683 (E_RNA)
where:
Base-Base interactions energy: -542.089
where: short stacking energy: -218.317
Base-Backbone interact. energy: -0.196
local terms energy: -234.833152
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -43.490
flat angles P-C4'-P energy: -31.998
tors. eta vs tors. theta energy: -69.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -693.856561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.856561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.856561 (E_RNA)
where:
Base-Base interactions energy: -455.458
where: short stacking energy: -195.232
Base-Backbone interact. energy: -0.342
local terms energy: -238.056567
where:
bonds (distance) C4'-P energy: -51.419
bonds (distance) P-C4' energy: -47.088
flat angles C4'-P-C4' energy: -46.066
flat angles P-C4'-P energy: -36.371
tors. eta vs tors. theta energy: -57.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -571.440108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.440108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.440108 (E_RNA)
where:
Base-Base interactions energy: -364.688
where: short stacking energy: -161.069
Base-Backbone interact. energy: -0.606
local terms energy: -206.145183
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -43.191
flat angles C4'-P-C4' energy: -40.402
flat angles P-C4'-P energy: -28.210
tors. eta vs tors. theta energy: -51.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -442.233574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.233574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.233574 (E_RNA)
where:
Base-Base interactions energy: -262.350
where: short stacking energy: -149.161
Base-Backbone interact. energy: -2.195
local terms energy: -177.688001
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -42.046
flat angles C4'-P-C4' energy: -40.088
flat angles P-C4'-P energy: -29.584
tors. eta vs tors. theta energy: -28.205
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: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -271.450646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.450646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.450646 (E_RNA)
where:
Base-Base interactions energy: -124.679
where: short stacking energy: -76.867
Base-Backbone interact. energy: 2.219
local terms energy: -148.991127
where:
bonds (distance) C4'-P energy: -37.482
bonds (distance) P-C4' energy: -46.200
flat angles C4'-P-C4' energy: -33.531
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -205.726848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.726848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.726848 (E_RNA)
where:
Base-Base interactions energy: -84.814
where: short stacking energy: -51.342
Base-Backbone interact. energy: -1.034
local terms energy: -119.879271
where:
bonds (distance) C4'-P energy: -38.172
bonds (distance) P-C4' energy: -49.353
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: 10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -918.782750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.782750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.782750 (E_RNA)
where:
Base-Base interactions energy: -644.301
where: short stacking energy: -274.756
Base-Backbone interact. energy: -0.138
local terms energy: -274.342873
where:
bonds (distance) C4'-P energy: -46.480
bonds (distance) P-C4' energy: -50.462
flat angles C4'-P-C4' energy: -55.972
flat angles P-C4'-P energy: -35.241
tors. eta vs tors. theta energy: -86.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -895.475693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.475693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.475693 (E_RNA)
where:
Base-Base interactions energy: -613.937
where: short stacking energy: -261.606
Base-Backbone interact. energy: -0.391
local terms energy: -281.147524
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -47.304
tors. eta vs tors. theta energy: -76.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -888.620239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.620239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.620239 (E_RNA)
where:
Base-Base interactions energy: -615.954
where: short stacking energy: -269.441
Base-Backbone interact. energy: -0.264
local terms energy: -272.402272
where:
bonds (distance) C4'-P energy: -36.472
bonds (distance) P-C4' energy: -50.999
flat angles C4'-P-C4' energy: -56.664
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -82.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -772.623047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.623047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.623047 (E_RNA)
where:
Base-Base interactions energy: -544.544
where: short stacking energy: -236.945
Base-Backbone interact. energy: -0.951
local terms energy: -227.128194
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -47.717
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -63.949
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: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -780.435337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.435337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.435337 (E_RNA)
where:
Base-Base interactions energy: -540.102
where: short stacking energy: -222.353
Base-Backbone interact. energy: -0.016
local terms energy: -240.317347
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -51.459
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -73.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -714.965844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.965844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.965844 (E_RNA)
where:
Base-Base interactions energy: -498.832
where: short stacking energy: -207.356
Base-Backbone interact. energy: -2.590
local terms energy: -213.544209
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -45.961
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -59.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -507.003383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.003383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.003383 (E_RNA)
where:
Base-Base interactions energy: -316.040
where: short stacking energy: -132.592
Base-Backbone interact. energy: -0.112
local terms energy: -190.851547
where:
bonds (distance) C4'-P energy: -39.783
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -40.905
flat angles P-C4'-P energy: -32.598
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: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -466.998458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.998458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.998458 (E_RNA)
where:
Base-Base interactions energy: -287.407
where: short stacking energy: -147.422
Base-Backbone interact. energy: -1.300
local terms energy: -178.290894
where:
bonds (distance) C4'-P energy: -29.048
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -25.703
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: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -273.958581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.958581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.958581 (E_RNA)
where:
Base-Base interactions energy: -140.316
where: short stacking energy: -80.781
Base-Backbone interact. energy: -2.938
local terms energy: -130.704986
where:
bonds (distance) C4'-P energy: -35.148
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -27.191
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: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -210.242978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.242978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.242978 (E_RNA)
where:
Base-Base interactions energy: -79.388
where: short stacking energy: -68.912
Base-Backbone interact. energy: 1.397
local terms energy: -132.251952
where:
bonds (distance) C4'-P energy: -35.183
bonds (distance) P-C4' energy: -43.536
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -912.226513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.226513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.226513 (E_RNA)
where:
Base-Base interactions energy: -628.865
where: short stacking energy: -273.195
Base-Backbone interact. energy: -0.261
local terms energy: -283.100320
where:
bonds (distance) C4'-P energy: -53.125
bonds (distance) P-C4' energy: -53.863
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -39.206
tors. eta vs tors. theta energy: -84.166
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: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -913.482155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.482155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.482155 (E_RNA)
where:
Base-Base interactions energy: -648.177
where: short stacking energy: -277.230
Base-Backbone interact. energy: -0.312
local terms energy: -264.993164
where:
bonds (distance) C4'-P energy: -36.873
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -52.450
flat angles P-C4'-P energy: -43.178
tors. eta vs tors. theta energy: -85.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -868.490587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.490587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.490587 (E_RNA)
where:
Base-Base interactions energy: -608.810
where: short stacking energy: -254.375
Base-Backbone interact. energy: -0.348
local terms energy: -259.332687
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -47.163
flat angles C4'-P-C4' energy: -49.702
flat angles P-C4'-P energy: -43.548
tors. eta vs tors. theta energy: -74.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -772.796777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.796777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.796777 (E_RNA)
where:
Base-Base interactions energy: -549.989
where: short stacking energy: -223.977
Base-Backbone interact. energy: -0.930
local terms energy: -221.877154
where:
bonds (distance) C4'-P energy: -42.120
bonds (distance) P-C4' energy: -38.786
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -61.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -756.792908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.792908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.792908 (E_RNA)
where:
Base-Base interactions energy: -511.843
where: short stacking energy: -216.834
Base-Backbone interact. energy: -1.276
local terms energy: -243.674211
where:
bonds (distance) C4'-P energy: -51.750
bonds (distance) P-C4' energy: -42.687
flat angles C4'-P-C4' energy: -49.351
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -68.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -704.601421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.601421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.601421 (E_RNA)
where:
Base-Base interactions energy: -492.675
where: short stacking energy: -198.547
Base-Backbone interact. energy: -1.204
local terms energy: -210.722606
where:
bonds (distance) C4'-P energy: -38.024
bonds (distance) P-C4' energy: -41.156
flat angles C4'-P-C4' energy: -44.881
flat angles P-C4'-P energy: -35.635
tors. eta vs tors. theta energy: -51.027
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: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -525.829500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.829500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.829500 (E_RNA)
where:
Base-Base interactions energy: -339.196
where: short stacking energy: -152.698
Base-Backbone interact. energy: -1.265
local terms energy: -185.368732
where:
bonds (distance) C4'-P energy: -32.300
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -31.864
tors. eta vs tors. theta energy: -34.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -450.717536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.717536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.717536 (E_RNA)
where:
Base-Base interactions energy: -277.018
where: short stacking energy: -136.706
Base-Backbone interact. energy: -0.516
local terms energy: -173.184184
where:
bonds (distance) C4'-P energy: -37.928
bonds (distance) P-C4' energy: -42.228
flat angles C4'-P-C4' energy: -42.230
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -31.794
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: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -248.643172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.643172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.643172 (E_RNA)
where:
Base-Base interactions energy: -118.595
where: short stacking energy: -74.802
Base-Backbone interact. energy: -0.496
local terms energy: -129.551672
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -28.022
tors. eta vs tors. theta energy: 2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -199.110089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.110089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.110089 (E_RNA)
where:
Base-Base interactions energy: -53.867
where: short stacking energy: -49.235
Base-Backbone interact. energy: -0.099
local terms energy: -145.143370
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -33.687
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -905.152896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.152896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.152896 (E_RNA)
where:
Base-Base interactions energy: -639.939
where: short stacking energy: -261.154
Base-Backbone interact. energy: -0.086
local terms energy: -265.127744
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -80.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -899.382876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.382876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.382876 (E_RNA)
where:
Base-Base interactions energy: -630.977
where: short stacking energy: -269.727
Base-Backbone interact. energy: -0.084
local terms energy: -268.321991
where:
bonds (distance) C4'-P energy: -47.701
bonds (distance) P-C4' energy: -46.927
flat angles C4'-P-C4' energy: -52.612
flat angles P-C4'-P energy: -35.447
tors. eta vs tors. theta energy: -85.635
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: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -877.468966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.468966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.468966 (E_RNA)
where:
Base-Base interactions energy: -618.361
where: short stacking energy: -258.228
Base-Backbone interact. energy: -0.206
local terms energy: -258.901940
where:
bonds (distance) C4'-P energy: -42.827
bonds (distance) P-C4' energy: -42.337
flat angles C4'-P-C4' energy: -55.996
flat angles P-C4'-P energy: -36.580
tors. eta vs tors. theta energy: -81.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -777.391403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.391403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.391403 (E_RNA)
where:
Base-Base interactions energy: -542.648
where: short stacking energy: -229.845
Base-Backbone interact. energy: -0.197
local terms energy: -234.546543
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -43.463
flat angles C4'-P-C4' energy: -48.404
flat angles P-C4'-P energy: -30.027
tors. eta vs tors. theta energy: -65.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -753.143651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.143651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.143651 (E_RNA)
where:
Base-Base interactions energy: -535.348
where: short stacking energy: -238.234
Base-Backbone interact. energy: -0.783
local terms energy: -217.012765
where:
bonds (distance) C4'-P energy: -30.364
bonds (distance) P-C4' energy: -43.097
flat angles C4'-P-C4' energy: -48.626
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -70.201
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: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -712.327127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.327127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.327127 (E_RNA)
where:
Base-Base interactions energy: -489.431
where: short stacking energy: -206.982
Base-Backbone interact. energy: 1.123
local terms energy: -224.019657
where:
bonds (distance) C4'-P energy: -42.415
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -34.344
tors. eta vs tors. theta energy: -59.704
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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -581.950783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.950783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.950783 (E_RNA)
where:
Base-Base interactions energy: -371.774
where: short stacking energy: -170.857
Base-Backbone interact. energy: -0.455
local terms energy: -209.721266
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -51.174
flat angles C4'-P-C4' energy: -45.511
flat angles P-C4'-P energy: -26.057
tors. eta vs tors. theta energy: -55.178
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: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -468.961834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.961834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.961834 (E_RNA)
where:
Base-Base interactions energy: -280.341
where: short stacking energy: -129.199
Base-Backbone interact. energy: -0.062
local terms energy: -188.558690
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -41.876
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -35.205
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: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -257.357434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.357434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.357434 (E_RNA)
where:
Base-Base interactions energy: -121.997
where: short stacking energy: -84.505
Base-Backbone interact. energy: 0.434
local terms energy: -135.794212
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -24.680
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -198.495655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.495655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.495655 (E_RNA)
where:
Base-Base interactions energy: -71.765
where: short stacking energy: -69.435
Base-Backbone interact. energy: 2.993
local terms energy: -129.723838
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -41.030
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: 1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -889.313555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.313555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.313555 (E_RNA)
where:
Base-Base interactions energy: -633.049
where: short stacking energy: -269.936
Base-Backbone interact. energy: -1.053
local terms energy: -255.211353
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -46.919
flat angles C4'-P-C4' energy: -46.536
flat angles P-C4'-P energy: -36.106
tors. eta vs tors. theta energy: -79.117
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: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -901.461098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.461098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.461098 (E_RNA)
where:
Base-Base interactions energy: -643.019
where: short stacking energy: -270.443
Base-Backbone interact. energy: -0.385
local terms energy: -258.057056
where:
bonds (distance) C4'-P energy: -46.618
bonds (distance) P-C4' energy: -38.979
flat angles C4'-P-C4' energy: -55.385
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -82.833
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: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -889.951198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.951198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.951198 (E_RNA)
where:
Base-Base interactions energy: -625.163
where: short stacking energy: -266.298
Base-Backbone interact. energy: -0.320
local terms energy: -264.468497
where:
bonds (distance) C4'-P energy: -42.551
bonds (distance) P-C4' energy: -44.208
flat angles C4'-P-C4' energy: -59.136
flat angles P-C4'-P energy: -35.430
tors. eta vs tors. theta energy: -83.143
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: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -796.190128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.190128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.190128 (E_RNA)
where:
Base-Base interactions energy: -544.399
where: short stacking energy: -236.058
Base-Backbone interact. energy: -0.157
local terms energy: -251.634381
where:
bonds (distance) C4'-P energy: -44.356
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -54.807
flat angles P-C4'-P energy: -26.621
tors. eta vs tors. theta energy: -76.308
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: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -771.056045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.056045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.056045 (E_RNA)
where:
Base-Base interactions energy: -549.252
where: short stacking energy: -222.417
Base-Backbone interact. energy: -1.559
local terms energy: -220.245189
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -39.850
flat angles C4'-P-C4' energy: -46.971
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -63.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -720.427802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.427802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.427802 (E_RNA)
where:
Base-Base interactions energy: -508.211
where: short stacking energy: -205.093
Base-Backbone interact. energy: -0.573
local terms energy: -211.643841
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -40.992
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -28.211
tors. eta vs tors. theta energy: -59.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -535.564645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.564645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.564645 (E_RNA)
where:
Base-Base interactions energy: -352.241
where: short stacking energy: -156.942
Base-Backbone interact. energy: 1.013
local terms energy: -184.336184
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -39.521
flat angles C4'-P-C4' energy: -41.316
flat angles P-C4'-P energy: -31.166
tors. eta vs tors. theta energy: -36.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -476.381130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.381130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.381130 (E_RNA)
where:
Base-Base interactions energy: -302.363
where: short stacking energy: -141.647
Base-Backbone interact. energy: -1.026
local terms energy: -172.992535
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -31.588
flat angles C4'-P-C4' energy: -45.607
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -30.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -331.846439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.846439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.846439 (E_RNA)
where:
Base-Base interactions energy: -166.357
where: short stacking energy: -95.670
Base-Backbone interact. energy: -1.832
local terms energy: -163.657994
where:
bonds (distance) C4'-P energy: -37.574
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -41.250
flat angles P-C4'-P energy: -24.219
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -222.563585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.563585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.563585 (E_RNA)
where:
Base-Base interactions energy: -71.887
where: short stacking energy: -69.422
Base-Backbone interact. energy: -1.412
local terms energy: -149.264031
where:
bonds (distance) C4'-P energy: -42.192
bonds (distance) P-C4' energy: -41.495
flat angles C4'-P-C4' energy: -38.767
flat angles P-C4'-P energy: -23.125
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -906.535848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.535848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.535848 (E_RNA)
where:
Base-Base interactions energy: -651.905
where: short stacking energy: -269.332
Base-Backbone interact. energy: -0.662
local terms energy: -253.968724
where:
bonds (distance) C4'-P energy: -41.729
bonds (distance) P-C4' energy: -46.054
flat angles C4'-P-C4' energy: -47.834
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: -83.075
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: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -894.368342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.368342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.368342 (E_RNA)
where:
Base-Base interactions energy: -625.793
where: short stacking energy: -273.091
Base-Backbone interact. energy: -0.472
local terms energy: -268.102531
where:
bonds (distance) C4'-P energy: -51.400
bonds (distance) P-C4' energy: -44.000
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -81.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -899.772410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.772410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.772410 (E_RNA)
where:
Base-Base interactions energy: -634.926
where: short stacking energy: -268.883
Base-Backbone interact. energy: 0.336
local terms energy: -265.181989
where:
bonds (distance) C4'-P energy: -36.266
bonds (distance) P-C4' energy: -50.234
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -82.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -785.353700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.353700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.353700 (E_RNA)
where:
Base-Base interactions energy: -540.455
where: short stacking energy: -234.290
Base-Backbone interact. energy: -0.821
local terms energy: -244.078282
where:
bonds (distance) C4'-P energy: -44.846
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -50.042
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -73.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -771.057440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.057440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.057440 (E_RNA)
where:
Base-Base interactions energy: -544.424
where: short stacking energy: -240.513
Base-Backbone interact. energy: -0.204
local terms energy: -226.429860
where:
bonds (distance) C4'-P energy: -46.293
bonds (distance) P-C4' energy: -39.266
flat angles C4'-P-C4' energy: -51.225
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -70.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -728.823429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.823429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.823429 (E_RNA)
where:
Base-Base interactions energy: -488.391
where: short stacking energy: -207.163
Base-Backbone interact. energy: -0.398
local terms energy: -240.034463
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -49.737
flat angles C4'-P-C4' energy: -46.263
flat angles P-C4'-P energy: -32.507
tors. eta vs tors. theta energy: -59.818
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -562.486769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.486769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.486769 (E_RNA)
where:
Base-Base interactions energy: -360.599
where: short stacking energy: -152.152
Base-Backbone interact. energy: -0.853
local terms energy: -201.034319
where:
bonds (distance) C4'-P energy: -49.251
bonds (distance) P-C4' energy: -40.652
flat angles C4'-P-C4' energy: -40.446
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: -43.497
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: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -429.168182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.168182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.168182 (E_RNA)
where:
Base-Base interactions energy: -259.281
where: short stacking energy: -134.636
Base-Backbone interact. energy: 0.119
local terms energy: -170.006094
where:
bonds (distance) C4'-P energy: -39.330
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -39.195
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -25.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -230.582466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.582466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.582466 (E_RNA)
where:
Base-Base interactions energy: -111.046
where: short stacking energy: -85.786
Base-Backbone interact. energy: 0.588
local terms energy: -120.124433
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -31.459
flat angles C4'-P-C4' energy: -37.830
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: 0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -198.622237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.622237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622237 (E_RNA)
where:
Base-Base interactions energy: -74.411
where: short stacking energy: -59.613
Base-Backbone interact. energy: -1.723
local terms energy: -122.487859
where:
bonds (distance) C4'-P energy: -40.027
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -38.950
flat angles P-C4'-P energy: -21.621
tors. eta vs tors. theta energy: 12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -930.734417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.734417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.734417 (E_RNA)
where:
Base-Base interactions energy: -649.752
where: short stacking energy: -271.053
Base-Backbone interact. energy: -0.448
local terms energy: -280.534057
where:
bonds (distance) C4'-P energy: -54.843
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -86.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -912.682800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.682800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.682800 (E_RNA)
where:
Base-Base interactions energy: -646.924
where: short stacking energy: -261.109
Base-Backbone interact. energy: -0.463
local terms energy: -265.295781
where:
bonds (distance) C4'-P energy: -50.280
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -47.608
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: -81.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -874.749236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.749236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.749236 (E_RNA)
where:
Base-Base interactions energy: -609.705
where: short stacking energy: -259.665
Base-Backbone interact. energy: 0.468
local terms energy: -265.512811
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -38.813
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -81.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -779.652248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.652248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.652248 (E_RNA)
where:
Base-Base interactions energy: -529.043
where: short stacking energy: -215.463
Base-Backbone interact. energy: 1.701
local terms energy: -252.309841
where:
bonds (distance) C4'-P energy: -50.034
bonds (distance) P-C4' energy: -44.891
flat angles C4'-P-C4' energy: -57.644
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -63.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -773.935304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.935304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.935304 (E_RNA)
where:
Base-Base interactions energy: -543.499
where: short stacking energy: -237.192
Base-Backbone interact. energy: -0.398
local terms energy: -230.038095
where:
bonds (distance) C4'-P energy: -45.052
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -47.222
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -71.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -723.713998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.713998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.713998 (E_RNA)
where:
Base-Base interactions energy: -507.053
where: short stacking energy: -208.726
Base-Backbone interact. energy: -0.584
local terms energy: -216.077758
where:
bonds (distance) C4'-P energy: -41.679
bonds (distance) P-C4' energy: -37.418
flat angles C4'-P-C4' energy: -42.783
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -57.751
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: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -526.627973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.627973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.627973 (E_RNA)
where:
Base-Base interactions energy: -341.112
where: short stacking energy: -147.042
Base-Backbone interact. energy: -1.216
local terms energy: -184.300130
where:
bonds (distance) C4'-P energy: -35.596
bonds (distance) P-C4' energy: -40.681
flat angles C4'-P-C4' energy: -37.037
flat angles P-C4'-P energy: -30.010
tors. eta vs tors. theta energy: -40.975
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: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -456.073573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.073573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.073573 (E_RNA)
where:
Base-Base interactions energy: -292.480
where: short stacking energy: -146.095
Base-Backbone interact. energy: 1.924
local terms energy: -165.517116
where:
bonds (distance) C4'-P energy: -41.512
bonds (distance) P-C4' energy: -44.529
flat angles C4'-P-C4' energy: -36.758
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -225.636368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.636368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.636368 (E_RNA)
where:
Base-Base interactions energy: -95.801
where: short stacking energy: -57.988
Base-Backbone interact. energy: -2.111
local terms energy: -127.724111
where:
bonds (distance) C4'-P energy: -43.889
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -39.279
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: 10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -219.475848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.475848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.475848 (E_RNA)
where:
Base-Base interactions energy: -68.824
where: short stacking energy: -59.856
Base-Backbone interact. energy: 6.619
local terms energy: -157.270550
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -42.178
flat angles P-C4'-P energy: -25.384
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -911.272378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.272378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.272378 (E_RNA)
where:
Base-Base interactions energy: -644.990
where: short stacking energy: -272.043
Base-Backbone interact. energy: 0.602
local terms energy: -266.884571
where:
bonds (distance) C4'-P energy: -46.622
bonds (distance) P-C4' energy: -45.810
flat angles C4'-P-C4' energy: -50.544
flat angles P-C4'-P energy: -40.609
tors. eta vs tors. theta energy: -83.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -900.479413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.479413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.479413 (E_RNA)
where:
Base-Base interactions energy: -643.523
where: short stacking energy: -257.581
Base-Backbone interact. energy: -0.846
local terms energy: -256.110431
where:
bonds (distance) C4'-P energy: -44.027
bonds (distance) P-C4' energy: -42.941
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -38.043
tors. eta vs tors. theta energy: -79.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -886.745923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.745923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.745923 (E_RNA)
where:
Base-Base interactions energy: -635.548
where: short stacking energy: -269.776
Base-Backbone interact. energy: -0.221
local terms energy: -250.976079
where:
bonds (distance) C4'-P energy: -41.480
bonds (distance) P-C4' energy: -44.551
flat angles C4'-P-C4' energy: -51.428
flat angles P-C4'-P energy: -32.432
tors. eta vs tors. theta energy: -81.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -791.382704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.382704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.382704 (E_RNA)
where:
Base-Base interactions energy: -547.311
where: short stacking energy: -223.500
Base-Backbone interact. energy: -0.075
local terms energy: -243.996522
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -47.987
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -34.749
tors. eta vs tors. theta energy: -68.445
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: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -780.371935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.371935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.371935 (E_RNA)
where:
Base-Base interactions energy: -556.410
where: short stacking energy: -234.328
Base-Backbone interact. energy: 1.210
local terms energy: -225.172090
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -50.062
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -67.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -709.676930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.676930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.676930 (E_RNA)
where:
Base-Base interactions energy: -492.280
where: short stacking energy: -192.610
Base-Backbone interact. energy: -0.791
local terms energy: -216.606282
where:
bonds (distance) C4'-P energy: -45.483
bonds (distance) P-C4' energy: -42.196
flat angles C4'-P-C4' energy: -41.417
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -54.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -553.490919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.490919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.490919 (E_RNA)
where:
Base-Base interactions energy: -373.591
where: short stacking energy: -164.884
Base-Backbone interact. energy: 1.484
local terms energy: -181.383774
where:
bonds (distance) C4'-P energy: -36.620
bonds (distance) P-C4' energy: -38.265
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -46.872
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: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -465.427174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.427174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.427174 (E_RNA)
where:
Base-Base interactions energy: -278.424
where: short stacking energy: -144.376
Base-Backbone interact. energy: -0.762
local terms energy: -186.241324
where:
bonds (distance) C4'-P energy: -50.380
bonds (distance) P-C4' energy: -41.168
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -28.066
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: 402
Temperature: 1.300000
Total energy: -228.733268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.733268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.733268 (E_RNA)
where:
Base-Base interactions energy: -97.732
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.461
local terms energy: -130.539491
where:
bonds (distance) C4'-P energy: -37.907
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -23.868
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -217.683906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.683906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.683906 (E_RNA)
where:
Base-Base interactions energy: -83.683
where: short stacking energy: -52.613
Base-Backbone interact. energy: 1.958
local terms energy: -135.959115
where:
bonds (distance) C4'-P energy: -40.692
bonds (distance) P-C4' energy: -40.059
flat angles C4'-P-C4' energy: -41.041
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: 11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -910.218141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.218141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.218141 (E_RNA)
where:
Base-Base interactions energy: -638.656
where: short stacking energy: -260.992
Base-Backbone interact. energy: -0.232
local terms energy: -271.329872
where:
bonds (distance) C4'-P energy: -43.577
bonds (distance) P-C4' energy: -44.789
flat angles C4'-P-C4' energy: -56.669
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -82.251
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: 403
Temperature: 0.950000
Total energy: -893.378613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.378613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.378613 (E_RNA)
where:
Base-Base interactions energy: -615.769
where: short stacking energy: -255.289
Base-Backbone interact. energy: -0.729
local terms energy: -276.880231
where:
bonds (distance) C4'-P energy: -52.186
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -81.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -874.772643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.772643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.772643 (E_RNA)
where:
Base-Base interactions energy: -636.120
where: short stacking energy: -272.750
Base-Backbone interact. energy: -0.186
local terms energy: -238.466380
where:
bonds (distance) C4'-P energy: -37.590
bonds (distance) P-C4' energy: -42.940
flat angles C4'-P-C4' energy: -45.462
flat angles P-C4'-P energy: -33.045
tors. eta vs tors. theta energy: -79.429
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: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -770.860810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.860810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.860810 (E_RNA)
where:
Base-Base interactions energy: -541.452
where: short stacking energy: -219.806
Base-Backbone interact. energy: -0.818
local terms energy: -228.590856
where:
bonds (distance) C4'-P energy: -42.799
bonds (distance) P-C4' energy: -50.026
flat angles C4'-P-C4' energy: -48.497
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: -64.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -769.901560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.901560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.901560 (E_RNA)
where:
Base-Base interactions energy: -548.201
where: short stacking energy: -224.461
Base-Backbone interact. energy: -0.367
local terms energy: -221.333472
where:
bonds (distance) C4'-P energy: -44.303
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -51.339
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -68.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -713.732374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.732374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.732374 (E_RNA)
where:
Base-Base interactions energy: -504.563
where: short stacking energy: -205.740
Base-Backbone interact. energy: -0.471
local terms energy: -208.699189
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -49.390
flat angles C4'-P-C4' energy: -40.841
flat angles P-C4'-P energy: -27.218
tors. eta vs tors. theta energy: -60.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -599.638561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.638561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.638561 (E_RNA)
where:
Base-Base interactions energy: -406.180
where: short stacking energy: -170.658
Base-Backbone interact. energy: -1.211
local terms energy: -192.247241
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -45.475
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -50.472
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -462.011609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.011609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.011609 (E_RNA)
where:
Base-Base interactions energy: -286.345
where: short stacking energy: -137.428
Base-Backbone interact. energy: -1.143
local terms energy: -174.522960
where:
bonds (distance) C4'-P energy: -38.304
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -42.093
flat angles P-C4'-P energy: -22.008
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: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -238.471453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.471453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.471453 (E_RNA)
where:
Base-Base interactions energy: -103.449
where: short stacking energy: -98.551
Base-Backbone interact. energy: 0.834
local terms energy: -135.855884
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -31.915
flat angles C4'-P-C4' energy: -52.540
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -10.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -204.488487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.488487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.488487 (E_RNA)
where:
Base-Base interactions energy: -64.483
where: short stacking energy: -54.952
Base-Backbone interact. energy: -0.294
local terms energy: -139.711416
where:
bonds (distance) C4'-P energy: -45.640
bonds (distance) P-C4' energy: -39.018
flat angles C4'-P-C4' energy: -35.422
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -904.212353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.212353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.212353 (E_RNA)
where:
Base-Base interactions energy: -639.734
where: short stacking energy: -278.991
Base-Backbone interact. energy: -0.058
local terms energy: -264.420974
where:
bonds (distance) C4'-P energy: -35.935
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -54.902
flat angles P-C4'-P energy: -39.636
tors. eta vs tors. theta energy: -84.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -890.322904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.322904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.322904 (E_RNA)
where:
Base-Base interactions energy: -626.691
where: short stacking energy: -269.805
Base-Backbone interact. energy: -0.001
local terms energy: -263.630884
where:
bonds (distance) C4'-P energy: -38.415
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -54.847
flat angles P-C4'-P energy: -42.400
tors. eta vs tors. theta energy: -85.329
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: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -873.722204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.722204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.722204 (E_RNA)
where:
Base-Base interactions energy: -617.854
where: short stacking energy: -260.085
Base-Backbone interact. energy: 0.063
local terms energy: -255.930503
where:
bonds (distance) C4'-P energy: -38.028
bonds (distance) P-C4' energy: -52.513
flat angles C4'-P-C4' energy: -48.014
flat angles P-C4'-P energy: -35.857
tors. eta vs tors. theta energy: -81.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -783.379168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.379168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.379168 (E_RNA)
where:
Base-Base interactions energy: -546.147
where: short stacking energy: -225.263
Base-Backbone interact. energy: 0.045
local terms energy: -237.277292
where:
bonds (distance) C4'-P energy: -45.432
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -53.151
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -62.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -757.167500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.167500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.167500 (E_RNA)
where:
Base-Base interactions energy: -527.818
where: short stacking energy: -226.201
Base-Backbone interact. energy: -0.685
local terms energy: -228.665002
where:
bonds (distance) C4'-P energy: -45.177
bonds (distance) P-C4' energy: -43.507
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -65.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -726.193794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.193794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.193794 (E_RNA)
where:
Base-Base interactions energy: -501.527
where: short stacking energy: -210.781
Base-Backbone interact. energy: -0.705
local terms energy: -223.961753
where:
bonds (distance) C4'-P energy: -40.948
bonds (distance) P-C4' energy: -40.467
flat angles C4'-P-C4' energy: -43.274
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -64.147
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: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -589.861228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.861228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.861228 (E_RNA)
where:
Base-Base interactions energy: -390.947
where: short stacking energy: -170.604
Base-Backbone interact. energy: -0.148
local terms energy: -198.766059
where:
bonds (distance) C4'-P energy: -44.020
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -42.318
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -47.365
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: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -453.137230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.137230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.137230 (E_RNA)
where:
Base-Base interactions energy: -286.310
where: short stacking energy: -129.984
Base-Backbone interact. energy: -0.425
local terms energy: -166.401721
where:
bonds (distance) C4'-P energy: -31.706
bonds (distance) P-C4' energy: -41.046
flat angles C4'-P-C4' energy: -47.348
flat angles P-C4'-P energy: -19.327
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: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -220.760774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.760774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.760774 (E_RNA)
where:
Base-Base interactions energy: -92.931
where: short stacking energy: -72.663
Base-Backbone interact. energy: 0.019
local terms energy: -127.849203
where:
bonds (distance) C4'-P energy: -37.554
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -32.500
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -209.215380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.215380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.215380 (E_RNA)
where:
Base-Base interactions energy: -81.792
where: short stacking energy: -60.410
Base-Backbone interact. energy: -0.623
local terms energy: -126.799835
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -30.156
flat angles C4'-P-C4' energy: -28.068
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -1.786
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: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -913.048201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.048201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.048201 (E_RNA)
where:
Base-Base interactions energy: -628.678
where: short stacking energy: -272.588
Base-Backbone interact. energy: -0.219
local terms energy: -284.151148
where:
bonds (distance) C4'-P energy: -47.878
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -85.778
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: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -888.884794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.884794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.884794 (E_RNA)
where:
Base-Base interactions energy: -635.291
where: short stacking energy: -267.913
Base-Backbone interact. energy: -0.002
local terms energy: -253.591451
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -38.198
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -39.637
tors. eta vs tors. theta energy: -79.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -884.742296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.742296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.742296 (E_RNA)
where:
Base-Base interactions energy: -602.209
where: short stacking energy: -264.809
Base-Backbone interact. energy: -0.003
local terms energy: -282.529584
where:
bonds (distance) C4'-P energy: -47.507
bonds (distance) P-C4' energy: -50.364
flat angles C4'-P-C4' energy: -58.546
flat angles P-C4'-P energy: -41.062
tors. eta vs tors. theta energy: -85.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -789.920658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.920658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.920658 (E_RNA)
where:
Base-Base interactions energy: -560.518
where: short stacking energy: -222.079
Base-Backbone interact. energy: 0.751
local terms energy: -230.153424
where:
bonds (distance) C4'-P energy: -45.596
bonds (distance) P-C4' energy: -53.896
flat angles C4'-P-C4' energy: -44.926
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -61.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -760.599088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.599088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.599088 (E_RNA)
where:
Base-Base interactions energy: -532.553
where: short stacking energy: -219.248
Base-Backbone interact. energy: -0.555
local terms energy: -227.491701
where:
bonds (distance) C4'-P energy: -44.258
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -45.705
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -65.334
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: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -679.577677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.577677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.577677 (E_RNA)
where:
Base-Base interactions energy: -465.656
where: short stacking energy: -183.743
Base-Backbone interact. energy: 1.814
local terms energy: -215.735571
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -37.022
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -35.182
tors. eta vs tors. theta energy: -45.085
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: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -607.289066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.289066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.289066 (E_RNA)
where:
Base-Base interactions energy: -391.929
where: short stacking energy: -189.464
Base-Backbone interact. energy: -0.303
local terms energy: -215.056485
where:
bonds (distance) C4'-P energy: -47.066
bonds (distance) P-C4' energy: -39.588
flat angles C4'-P-C4' energy: -42.163
flat angles P-C4'-P energy: -28.354
tors. eta vs tors. theta energy: -57.887
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: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -487.153116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.153116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.153116 (E_RNA)
where:
Base-Base interactions energy: -310.330
where: short stacking energy: -152.711
Base-Backbone interact. energy: -1.280
local terms energy: -175.543375
where:
bonds (distance) C4'-P energy: -40.882
bonds (distance) P-C4' energy: -41.580
flat angles C4'-P-C4' energy: -40.849
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -209.404587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.404587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.404587 (E_RNA)
where:
Base-Base interactions energy: -81.071
where: short stacking energy: -49.823
Base-Backbone interact. energy: 0.037
local terms energy: -128.370290
where:
bonds (distance) C4'-P energy: -40.213
bonds (distance) P-C4' energy: -47.061
flat angles C4'-P-C4' energy: -33.096
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: 11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -197.261919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.261919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.261919 (E_RNA)
where:
Base-Base interactions energy: -75.891
where: short stacking energy: -63.690
Base-Backbone interact. energy: -0.017
local terms energy: -121.353672
where:
bonds (distance) C4'-P energy: -39.113
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -45.923
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: 9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -901.353845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.353845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.353845 (E_RNA)
where:
Base-Base interactions energy: -627.717
where: short stacking energy: -266.194
Base-Backbone interact. energy: -0.501
local terms energy: -273.135873
where:
bonds (distance) C4'-P energy: -43.103
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -54.715
flat angles P-C4'-P energy: -47.961
tors. eta vs tors. theta energy: -81.488
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: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -899.391437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.391437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.391437 (E_RNA)
where:
Base-Base interactions energy: -643.729
where: short stacking energy: -262.446
Base-Backbone interact. energy: -0.331
local terms energy: -255.331334
where:
bonds (distance) C4'-P energy: -34.259
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -55.117
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -77.994
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: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -901.466208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.466208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.466208 (E_RNA)
where:
Base-Base interactions energy: -635.097
where: short stacking energy: -273.468
Base-Backbone interact. energy: -0.662
local terms energy: -265.707430
where:
bonds (distance) C4'-P energy: -41.474
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -57.203
flat angles P-C4'-P energy: -38.999
tors. eta vs tors. theta energy: -89.961
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: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -784.099023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.099023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.099023 (E_RNA)
where:
Base-Base interactions energy: -552.666
where: short stacking energy: -223.728
Base-Backbone interact. energy: 0.461
local terms energy: -231.894087
where:
bonds (distance) C4'-P energy: -41.699
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -45.137
flat angles P-C4'-P energy: -35.120
tors. eta vs tors. theta energy: -63.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -749.929499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.929499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.929499 (E_RNA)
where:
Base-Base interactions energy: -510.392
where: short stacking energy: -218.429
Base-Backbone interact. energy: 0.991
local terms energy: -240.528260
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -48.694
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -29.957
tors. eta vs tors. theta energy: -65.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -704.087957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.087957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.087957 (E_RNA)
where:
Base-Base interactions energy: -487.299
where: short stacking energy: -210.159
Base-Backbone interact. energy: -1.060
local terms energy: -215.729186
where:
bonds (distance) C4'-P energy: -36.535
bonds (distance) P-C4' energy: -39.521
flat angles C4'-P-C4' energy: -46.634
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -58.016
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: 406
Temperature: 1.200000
Total energy: -599.548646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.548646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.548646 (E_RNA)
where:
Base-Base interactions energy: -391.159
where: short stacking energy: -180.164
Base-Backbone interact. energy: -0.293
local terms energy: -208.096593
where:
bonds (distance) C4'-P energy: -38.386
bonds (distance) P-C4' energy: -44.862
flat angles C4'-P-C4' energy: -41.726
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -51.044
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: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -456.940021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.940021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.940021 (E_RNA)
where:
Base-Base interactions energy: -296.706
where: short stacking energy: -123.697
Base-Backbone interact. energy: 2.858
local terms energy: -163.091550
where:
bonds (distance) C4'-P energy: -39.007
bonds (distance) P-C4' energy: -42.862
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -20.965
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: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -216.164051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.164051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.164051 (E_RNA)
where:
Base-Base interactions energy: -76.404
where: short stacking energy: -54.210
Base-Backbone interact. energy: 0.399
local terms energy: -140.159311
where:
bonds (distance) C4'-P energy: -44.856
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: 6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -204.543602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.543602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.543602 (E_RNA)
where:
Base-Base interactions energy: -73.274
where: short stacking energy: -54.952
Base-Backbone interact. energy: 0.758
local terms energy: -132.028448
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -50.830
flat angles C4'-P-C4' energy: -42.070
flat angles P-C4'-P energy: -17.427
tors. eta vs tors. theta energy: 9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -904.185309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.185309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.185309 (E_RNA)
where:
Base-Base interactions energy: -639.552
where: short stacking energy: -282.501
Base-Backbone interact. energy: -0.072
local terms energy: -264.561351
where:
bonds (distance) C4'-P energy: -43.995
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -57.012
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: -84.642
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: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -896.591177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.591177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.591177 (E_RNA)
where:
Base-Base interactions energy: -621.824
where: short stacking energy: -266.470
Base-Backbone interact. energy: -0.545
local terms energy: -274.222553
where:
bonds (distance) C4'-P energy: -47.372
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -55.322
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -88.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -886.184691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.184691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.184691 (E_RNA)
where:
Base-Base interactions energy: -633.019
where: short stacking energy: -252.156
Base-Backbone interact. energy: -0.710
local terms energy: -252.455784
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -43.008
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -79.640
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: 407
Temperature: 1.050000
Total energy: -782.300244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.300244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.300244 (E_RNA)
where:
Base-Base interactions energy: -540.436
where: short stacking energy: -223.592
Base-Backbone interact. energy: 0.519
local terms energy: -242.383451
where:
bonds (distance) C4'-P energy: -43.671
bonds (distance) P-C4' energy: -49.379
flat angles C4'-P-C4' energy: -45.731
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -64.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -762.946910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.946910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.946910 (E_RNA)
where:
Base-Base interactions energy: -539.294
where: short stacking energy: -230.440
Base-Backbone interact. energy: -0.621
local terms energy: -223.031425
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -43.702
flat angles C4'-P-C4' energy: -43.669
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: -63.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -687.143825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.143825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.143825 (E_RNA)
where:
Base-Base interactions energy: -475.402
where: short stacking energy: -193.015
Base-Backbone interact. energy: -1.498
local terms energy: -210.244135
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -51.548
flat angles C4'-P-C4' energy: -39.574
flat angles P-C4'-P energy: -27.998
tors. eta vs tors. theta energy: -55.210
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: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -613.771009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.771009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.771009 (E_RNA)
where:
Base-Base interactions energy: -419.173
where: short stacking energy: -191.580
Base-Backbone interact. energy: -0.494
local terms energy: -194.104089
where:
bonds (distance) C4'-P energy: -40.218
bonds (distance) P-C4' energy: -40.582
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -50.689
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -415.670373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.670373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.670373 (E_RNA)
where:
Base-Base interactions energy: -265.074
where: short stacking energy: -112.357
Base-Backbone interact. energy: 0.517
local terms energy: -151.112843
where:
bonds (distance) C4'-P energy: -41.773
bonds (distance) P-C4' energy: -38.382
flat angles C4'-P-C4' energy: -30.759
flat angles P-C4'-P energy: -20.153
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: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -236.173507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.173507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.173507 (E_RNA)
where:
Base-Base interactions energy: -110.106
where: short stacking energy: -89.367
Base-Backbone interact. energy: 0.507
local terms energy: -126.574376
where:
bonds (distance) C4'-P energy: -36.455
bonds (distance) P-C4' energy: -35.497
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -28.520
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -209.608216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.608216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.608216 (E_RNA)
where:
Base-Base interactions energy: -72.470
where: short stacking energy: -55.680
Base-Backbone interact. energy: 0.563
local terms energy: -137.701099
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -44.145
flat angles C4'-P-C4' energy: -33.403
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: 3.304
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: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -906.183460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.183460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.183460 (E_RNA)
where:
Base-Base interactions energy: -642.558
where: short stacking energy: -265.087
Base-Backbone interact. energy: 0.228
local terms energy: -263.853026
where:
bonds (distance) C4'-P energy: -42.063
bonds (distance) P-C4' energy: -49.908
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -38.327
tors. eta vs tors. theta energy: -82.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -894.936108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.936108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.936108 (E_RNA)
where:
Base-Base interactions energy: -626.439
where: short stacking energy: -273.110
Base-Backbone interact. energy: -0.354
local terms energy: -268.143195
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -47.609
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -33.383
tors. eta vs tors. theta energy: -84.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -897.429591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.429591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.429591 (E_RNA)
where:
Base-Base interactions energy: -632.492
where: short stacking energy: -283.807
Base-Backbone interact. energy: -0.351
local terms energy: -264.586642
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -41.268
flat angles C4'-P-C4' energy: -53.201
flat angles P-C4'-P energy: -37.046
tors. eta vs tors. theta energy: -85.681
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: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -787.904060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.904060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.904060 (E_RNA)
where:
Base-Base interactions energy: -557.053
where: short stacking energy: -214.419
Base-Backbone interact. energy: -1.202
local terms energy: -229.649685
where:
bonds (distance) C4'-P energy: -42.598
bonds (distance) P-C4' energy: -45.905
flat angles C4'-P-C4' energy: -45.958
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -65.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -771.818476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.818476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.818476 (E_RNA)
where:
Base-Base interactions energy: -537.469
where: short stacking energy: -228.425
Base-Backbone interact. energy: -0.201
local terms energy: -234.149284
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -40.734
flat angles C4'-P-C4' energy: -53.544
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: -69.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -704.095101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.095101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.095101 (E_RNA)
where:
Base-Base interactions energy: -494.738
where: short stacking energy: -205.664
Base-Backbone interact. energy: 0.001
local terms energy: -209.358124
where:
bonds (distance) C4'-P energy: -45.811
bonds (distance) P-C4' energy: -50.573
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -56.125
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: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -593.657768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.657768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.657768 (E_RNA)
where:
Base-Base interactions energy: -392.000
where: short stacking energy: -180.809
Base-Backbone interact. energy: 0.890
local terms energy: -202.548093
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -43.339
flat angles C4'-P-C4' energy: -42.088
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -50.147
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: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -473.081094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.081094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.081094 (E_RNA)
where:
Base-Base interactions energy: -303.680
where: short stacking energy: -154.854
Base-Backbone interact. energy: 1.297
local terms energy: -170.697901
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -40.072
flat angles C4'-P-C4' energy: -40.694
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -26.292
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: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -253.471481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.471481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.471481 (E_RNA)
where:
Base-Base interactions energy: -134.094
where: short stacking energy: -84.652
Base-Backbone interact. energy: -0.169
local terms energy: -119.207570
where:
bonds (distance) C4'-P energy: -35.539
bonds (distance) P-C4' energy: -30.103
flat angles C4'-P-C4' energy: -40.814
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: 4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -249.114678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.114678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.114678 (E_RNA)
where:
Base-Base interactions energy: -109.975
where: short stacking energy: -66.923
Base-Backbone interact. energy: 0.089
local terms energy: -139.228727
where:
bonds (distance) C4'-P energy: -43.524
bonds (distance) P-C4' energy: -44.031
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -22.141
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: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -926.446440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.446440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.446440 (E_RNA)
where:
Base-Base interactions energy: -654.543
where: short stacking energy: -268.505
Base-Backbone interact. energy: 1.240
local terms energy: -273.143584
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -39.514
tors. eta vs tors. theta energy: -84.138
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: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -898.346793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.346793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.346793 (E_RNA)
where:
Base-Base interactions energy: -619.735
where: short stacking energy: -270.350
Base-Backbone interact. energy: -0.082
local terms energy: -278.529669
where:
bonds (distance) C4'-P energy: -48.753
bonds (distance) P-C4' energy: -47.336
flat angles C4'-P-C4' energy: -55.683
flat angles P-C4'-P energy: -39.412
tors. eta vs tors. theta energy: -87.346
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: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -886.172350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.172350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.172350 (E_RNA)
where:
Base-Base interactions energy: -633.660
where: short stacking energy: -264.405
Base-Backbone interact. energy: -0.301
local terms energy: -252.211337
where:
bonds (distance) C4'-P energy: -39.077
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -54.775
flat angles P-C4'-P energy: -34.269
tors. eta vs tors. theta energy: -83.897
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: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -778.165068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.165068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.165068 (E_RNA)
where:
Base-Base interactions energy: -541.331
where: short stacking energy: -242.186
Base-Backbone interact. energy: -0.802
local terms energy: -236.032347
where:
bonds (distance) C4'-P energy: -36.568
bonds (distance) P-C4' energy: -44.057
flat angles C4'-P-C4' energy: -51.738
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -69.220
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: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -771.797986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.797986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.797986 (E_RNA)
where:
Base-Base interactions energy: -550.669
where: short stacking energy: -227.487
Base-Backbone interact. energy: -0.413
local terms energy: -220.715250
where:
bonds (distance) C4'-P energy: -40.713
bonds (distance) P-C4' energy: -41.909
flat angles C4'-P-C4' energy: -49.120
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -61.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -693.165543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.165543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.165543 (E_RNA)
where:
Base-Base interactions energy: -488.429
where: short stacking energy: -203.300
Base-Backbone interact. energy: -0.513
local terms energy: -204.223209
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -52.508
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: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -631.925234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.925234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.925234 (E_RNA)
where:
Base-Base interactions energy: -422.385
where: short stacking energy: -166.348
Base-Backbone interact. energy: -0.405
local terms energy: -209.135802
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -45.187
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -49.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -450.723160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.723160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.723160 (E_RNA)
where:
Base-Base interactions energy: -287.895
where: short stacking energy: -139.796
Base-Backbone interact. energy: 3.127
local terms energy: -165.954443
where:
bonds (distance) C4'-P energy: -36.498
bonds (distance) P-C4' energy: -35.271
flat angles C4'-P-C4' energy: -40.226
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -282.793725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.793725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.793725 (E_RNA)
where:
Base-Base interactions energy: -128.650
where: short stacking energy: -85.040
Base-Backbone interact. energy: -1.678
local terms energy: -152.465861
where:
bonds (distance) C4'-P energy: -40.398
bonds (distance) P-C4' energy: -41.001
flat angles C4'-P-C4' energy: -37.834
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -11.571
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: 409
Temperature: 1.350000
Total energy: -238.057626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.057626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.057626 (E_RNA)
where:
Base-Base interactions energy: -112.887
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.241
local terms energy: -124.929721
where:
bonds (distance) C4'-P energy: -33.757
bonds (distance) P-C4' energy: -30.246
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -924.339776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.339776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.339776 (E_RNA)
where:
Base-Base interactions energy: -651.124
where: short stacking energy: -275.142
Base-Backbone interact. energy: -0.328
local terms energy: -272.886932
where:
bonds (distance) C4'-P energy: -47.179
bonds (distance) P-C4' energy: -46.235
flat angles C4'-P-C4' energy: -54.215
flat angles P-C4'-P energy: -39.333
tors. eta vs tors. theta energy: -85.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -891.199766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.199766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.199766 (E_RNA)
where:
Base-Base interactions energy: -624.748
where: short stacking energy: -270.401
Base-Backbone interact. energy: -0.018
local terms energy: -266.433856
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -41.820
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -87.615
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: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -891.638868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.638868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.638868 (E_RNA)
where:
Base-Base interactions energy: -618.916
where: short stacking energy: -260.594
Base-Backbone interact. energy: -0.721
local terms energy: -272.002443
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -50.894
flat angles C4'-P-C4' energy: -49.434
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -78.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -754.124141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.124141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.124141 (E_RNA)
where:
Base-Base interactions energy: -535.376
where: short stacking energy: -225.768
Base-Backbone interact. energy: -0.252
local terms energy: -218.495539
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -36.628
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -35.446
tors. eta vs tors. theta energy: -63.965
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -756.436858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.436858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.436858 (E_RNA)
where:
Base-Base interactions energy: -534.772
where: short stacking energy: -217.872
Base-Backbone interact. energy: 1.364
local terms energy: -223.028802
where:
bonds (distance) C4'-P energy: -39.893
bonds (distance) P-C4' energy: -44.248
flat angles C4'-P-C4' energy: -48.410
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -57.091
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: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -695.622895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.622895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.622895 (E_RNA)
where:
Base-Base interactions energy: -483.390
where: short stacking energy: -201.412
Base-Backbone interact. energy: -0.932
local terms energy: -211.301067
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -44.424
flat angles C4'-P-C4' energy: -41.109
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -57.085
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: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -626.503060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.503060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.503060 (E_RNA)
where:
Base-Base interactions energy: -433.705
where: short stacking energy: -196.299
Base-Backbone interact. energy: -0.267
local terms energy: -192.531097
where:
bonds (distance) C4'-P energy: -38.161
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -53.025
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: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -475.301432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.301432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.301432 (E_RNA)
where:
Base-Base interactions energy: -318.926
where: short stacking energy: -140.907
Base-Backbone interact. energy: -1.258
local terms energy: -155.117053
where:
bonds (distance) C4'-P energy: -28.540
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -36.600
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: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -282.833434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.833434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.833434 (E_RNA)
where:
Base-Base interactions energy: -144.012
where: short stacking energy: -80.918
Base-Backbone interact. energy: -0.403
local terms energy: -138.418455
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -209.268198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.268198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.268198 (E_RNA)
where:
Base-Base interactions energy: -72.416
where: short stacking energy: -58.617
Base-Backbone interact. energy: -1.552
local terms energy: -135.300299
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -44.797
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: 1.588
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: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -919.327330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.327330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.327330 (E_RNA)
where:
Base-Base interactions energy: -649.667
where: short stacking energy: -266.351
Base-Backbone interact. energy: -0.160
local terms energy: -269.500463
where:
bonds (distance) C4'-P energy: -46.450
bonds (distance) P-C4' energy: -52.787
flat angles C4'-P-C4' energy: -55.652
flat angles P-C4'-P energy: -32.974
tors. eta vs tors. theta energy: -81.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -881.432909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.432909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.432909 (E_RNA)
where:
Base-Base interactions energy: -618.854
where: short stacking energy: -259.325
Base-Backbone interact. energy: -0.005
local terms energy: -262.574564
where:
bonds (distance) C4'-P energy: -47.521
bonds (distance) P-C4' energy: -42.175
flat angles C4'-P-C4' energy: -57.151
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: -79.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -875.676781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.676781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.676781 (E_RNA)
where:
Base-Base interactions energy: -619.407
where: short stacking energy: -267.237
Base-Backbone interact. energy: -0.214
local terms energy: -256.055735
where:
bonds (distance) C4'-P energy: -40.959
bonds (distance) P-C4' energy: -40.644
flat angles C4'-P-C4' energy: -53.104
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -83.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -792.797498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.797498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.797498 (E_RNA)
where:
Base-Base interactions energy: -556.967
where: short stacking energy: -232.739
Base-Backbone interact. energy: -0.190
local terms energy: -235.640962
where:
bonds (distance) C4'-P energy: -41.254
bonds (distance) P-C4' energy: -40.384
flat angles C4'-P-C4' energy: -53.531
flat angles P-C4'-P energy: -30.478
tors. eta vs tors. theta energy: -69.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -748.099145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.099145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.099145 (E_RNA)
where:
Base-Base interactions energy: -525.069
where: short stacking energy: -216.725
Base-Backbone interact. energy: -0.797
local terms energy: -222.232710
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -48.103
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -58.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -699.019120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.019120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.019120 (E_RNA)
where:
Base-Base interactions energy: -490.739
where: short stacking energy: -212.168
Base-Backbone interact. energy: -1.492
local terms energy: -206.787520
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -36.859
flat angles C4'-P-C4' energy: -41.917
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -58.805
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: 411
Temperature: 1.200000
Total energy: -638.536440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.536440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.536440 (E_RNA)
where:
Base-Base interactions energy: -439.245
where: short stacking energy: -187.505
Base-Backbone interact. energy: 0.081
local terms energy: -199.372212
where:
bonds (distance) C4'-P energy: -42.411
bonds (distance) P-C4' energy: -26.815
flat angles C4'-P-C4' energy: -44.957
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -51.783
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: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -511.075698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.075698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.075698 (E_RNA)
where:
Base-Base interactions energy: -330.449
where: short stacking energy: -159.430
Base-Backbone interact. energy: -1.507
local terms energy: -179.120006
where:
bonds (distance) C4'-P energy: -36.737
bonds (distance) P-C4' energy: -34.627
flat angles C4'-P-C4' energy: -36.131
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -47.860
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: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -293.401981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.401981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.401981 (E_RNA)
where:
Base-Base interactions energy: -140.619
where: short stacking energy: -95.534
Base-Backbone interact. energy: -0.022
local terms energy: -152.761600
where:
bonds (distance) C4'-P energy: -42.977
bonds (distance) P-C4' energy: -38.859
flat angles C4'-P-C4' energy: -34.065
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -189.947817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.947817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.947817 (E_RNA)
where:
Base-Base interactions energy: -65.851
where: short stacking energy: -50.190
Base-Backbone interact. energy: -0.594
local terms energy: -123.502854
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: 7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -910.278585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.278585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.278585 (E_RNA)
where:
Base-Base interactions energy: -646.743
where: short stacking energy: -270.518
Base-Backbone interact. energy: -0.607
local terms energy: -262.928408
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -43.667
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -40.499
tors. eta vs tors. theta energy: -85.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -882.910989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.910989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.910989 (E_RNA)
where:
Base-Base interactions energy: -620.449
where: short stacking energy: -255.727
Base-Backbone interact. energy: -0.087
local terms energy: -262.375429
where:
bonds (distance) C4'-P energy: -47.702
bonds (distance) P-C4' energy: -45.560
flat angles C4'-P-C4' energy: -54.231
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -78.860
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: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -887.393441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.393441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.393441 (E_RNA)
where:
Base-Base interactions energy: -632.460
where: short stacking energy: -270.364
Base-Backbone interact. energy: -0.098
local terms energy: -254.836234
where:
bonds (distance) C4'-P energy: -35.442
bonds (distance) P-C4' energy: -48.094
flat angles C4'-P-C4' energy: -52.880
flat angles P-C4'-P energy: -34.935
tors. eta vs tors. theta energy: -83.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -792.969840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.969840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.969840 (E_RNA)
where:
Base-Base interactions energy: -546.627
where: short stacking energy: -239.683
Base-Backbone interact. energy: -0.052
local terms energy: -246.291442
where:
bonds (distance) C4'-P energy: -48.602
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -53.088
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -67.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -758.948074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.948074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.948074 (E_RNA)
where:
Base-Base interactions energy: -539.439
where: short stacking energy: -221.578
Base-Backbone interact. energy: -0.250
local terms energy: -219.259977
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -48.292
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -62.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -682.776876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.776876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.776876 (E_RNA)
where:
Base-Base interactions energy: -474.009
where: short stacking energy: -192.135
Base-Backbone interact. energy: -0.557
local terms energy: -208.211031
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -45.936
flat angles C4'-P-C4' energy: -44.953
flat angles P-C4'-P energy: -26.874
tors. eta vs tors. theta energy: -52.807
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: 412
Temperature: 1.200000
Total energy: -622.623404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.623404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.623404 (E_RNA)
where:
Base-Base interactions energy: -393.285
where: short stacking energy: -182.641
Base-Backbone interact. energy: -0.025
local terms energy: -229.313836
where:
bonds (distance) C4'-P energy: -41.200
bonds (distance) P-C4' energy: -47.150
flat angles C4'-P-C4' energy: -49.448
flat angles P-C4'-P energy: -33.169
tors. eta vs tors. theta energy: -58.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -498.124758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.124758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.124758 (E_RNA)
where:
Base-Base interactions energy: -318.030
where: short stacking energy: -159.486
Base-Backbone interact. energy: -0.373
local terms energy: -179.721048
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -43.375
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -38.911
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: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -238.241835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.241835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.241835 (E_RNA)
where:
Base-Base interactions energy: -109.537
where: short stacking energy: -55.670
Base-Backbone interact. energy: -1.294
local terms energy: -127.410228
where:
bonds (distance) C4'-P energy: -41.469
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -33.378
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: 10.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -210.476990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.476990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.476990 (E_RNA)
where:
Base-Base interactions energy: -78.209
where: short stacking energy: -66.182
Base-Backbone interact. energy: -1.043
local terms energy: -131.224818
where:
bonds (distance) C4'-P energy: -28.246
bonds (distance) P-C4' energy: -41.761
flat angles C4'-P-C4' energy: -41.051
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: 6.280
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: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -901.406338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.406338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.406338 (E_RNA)
where:
Base-Base interactions energy: -625.839
where: short stacking energy: -250.793
Base-Backbone interact. energy: -0.304
local terms energy: -275.262659
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -53.002
flat angles C4'-P-C4' energy: -52.099
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -81.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -903.447638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.447638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.447638 (E_RNA)
where:
Base-Base interactions energy: -632.384
where: short stacking energy: -265.181
Base-Backbone interact. energy: -0.212
local terms energy: -270.851607
where:
bonds (distance) C4'-P energy: -43.652
bonds (distance) P-C4' energy: -53.985
flat angles C4'-P-C4' energy: -54.132
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -82.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -881.313019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.313019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.313019 (E_RNA)
where:
Base-Base interactions energy: -619.532
where: short stacking energy: -260.497
Base-Backbone interact. energy: -0.265
local terms energy: -261.515839
where:
bonds (distance) C4'-P energy: -45.479
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -50.913
flat angles P-C4'-P energy: -40.285
tors. eta vs tors. theta energy: -78.344
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -776.088293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.088293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.088293 (E_RNA)
where:
Base-Base interactions energy: -546.913
where: short stacking energy: -230.216
Base-Backbone interact. energy: -0.680
local terms energy: -228.495100
where:
bonds (distance) C4'-P energy: -37.653
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -47.049
flat angles P-C4'-P energy: -35.690
tors. eta vs tors. theta energy: -67.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -750.657259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.657259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.657259 (E_RNA)
where:
Base-Base interactions energy: -515.074
where: short stacking energy: -214.965
Base-Backbone interact. energy: -0.380
local terms energy: -235.203325
where:
bonds (distance) C4'-P energy: -47.909
bonds (distance) P-C4' energy: -38.001
flat angles C4'-P-C4' energy: -50.416
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: -60.853
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: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -698.775724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.775724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.775724 (E_RNA)
where:
Base-Base interactions energy: -489.912
where: short stacking energy: -203.063
Base-Backbone interact. energy: -0.573
local terms energy: -208.290632
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -38.099
flat angles C4'-P-C4' energy: -52.005
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -59.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -634.035432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.035432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.035432 (E_RNA)
where:
Base-Base interactions energy: -419.721
where: short stacking energy: -183.038
Base-Backbone interact. energy: -1.678
local terms energy: -212.637039
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -38.715
flat angles C4'-P-C4' energy: -49.237
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -51.002
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -421.162463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.162463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.162463 (E_RNA)
where:
Base-Base interactions energy: -257.500
where: short stacking energy: -110.800
Base-Backbone interact. energy: -0.884
local terms energy: -162.778591
where:
bonds (distance) C4'-P energy: -34.505
bonds (distance) P-C4' energy: -38.827
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -28.441
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -223.775565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.775565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.775565 (E_RNA)
where:
Base-Base interactions energy: -92.856
where: short stacking energy: -74.158
Base-Backbone interact. energy: -0.812
local terms energy: -130.106705
where:
bonds (distance) C4'-P energy: -41.595
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -219.422144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.422144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.422144 (E_RNA)
where:
Base-Base interactions energy: -71.511
where: short stacking energy: -47.765
Base-Backbone interact. energy: -2.623
local terms energy: -145.287842
where:
bonds (distance) C4'-P energy: -42.563
bonds (distance) P-C4' energy: -34.678
flat angles C4'-P-C4' energy: -42.323
flat angles P-C4'-P energy: -24.256
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -914.738259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.738259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.738259 (E_RNA)
where:
Base-Base interactions energy: -639.304
where: short stacking energy: -274.624
Base-Backbone interact. energy: -0.327
local terms energy: -275.107338
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -46.458
flat angles C4'-P-C4' energy: -52.402
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -84.998
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -885.417218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.417218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.417218 (E_RNA)
where:
Base-Base interactions energy: -624.699
where: short stacking energy: -268.666
Base-Backbone interact. energy: -0.305
local terms energy: -260.413778
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -50.092
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -84.310
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: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -874.005592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.005592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.005592 (E_RNA)
where:
Base-Base interactions energy: -616.331
where: short stacking energy: -254.783
Base-Backbone interact. energy: -0.016
local terms energy: -257.658753
where:
bonds (distance) C4'-P energy: -43.654
bonds (distance) P-C4' energy: -45.738
flat angles C4'-P-C4' energy: -50.056
flat angles P-C4'-P energy: -36.790
tors. eta vs tors. theta energy: -81.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -780.210131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.210131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.210131 (E_RNA)
where:
Base-Base interactions energy: -535.076
where: short stacking energy: -224.950
Base-Backbone interact. energy: 0.218
local terms energy: -245.352054
where:
bonds (distance) C4'-P energy: -43.206
bonds (distance) P-C4' energy: -40.909
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -69.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -752.972081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.972081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.972081 (E_RNA)
where:
Base-Base interactions energy: -526.020
where: short stacking energy: -219.109
Base-Backbone interact. energy: -1.211
local terms energy: -225.740334
where:
bonds (distance) C4'-P energy: -41.569
bonds (distance) P-C4' energy: -31.844
flat angles C4'-P-C4' energy: -48.591
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -67.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -684.615433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.615433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.615433 (E_RNA)
where:
Base-Base interactions energy: -478.162
where: short stacking energy: -187.184
Base-Backbone interact. energy: -0.678
local terms energy: -205.774471
where:
bonds (distance) C4'-P energy: -43.819
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -46.572
flat angles P-C4'-P energy: -27.007
tors. eta vs tors. theta energy: -53.805
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: 414
Temperature: 1.200000
Total energy: -655.321287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.321287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.321287 (E_RNA)
where:
Base-Base interactions energy: -443.097
where: short stacking energy: -186.800
Base-Backbone interact. energy: -2.725
local terms energy: -209.499097
where:
bonds (distance) C4'-P energy: -42.838
bonds (distance) P-C4' energy: -39.507
flat angles C4'-P-C4' energy: -41.080
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -56.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -411.248770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.248770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.248770 (E_RNA)
where:
Base-Base interactions energy: -256.500
where: short stacking energy: -135.107
Base-Backbone interact. energy: -0.506
local terms energy: -154.242243
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -37.397
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -28.056
tors. eta vs tors. theta energy: -21.353
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: 414
Temperature: 1.300000
Total energy: -299.334740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.334740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.334740 (E_RNA)
where:
Base-Base interactions energy: -152.150
where: short stacking energy: -100.478
Base-Backbone interact. energy: -1.059
local terms energy: -146.126254
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -44.381
flat angles C4'-P-C4' energy: -33.249
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -203.020049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.020049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.020049 (E_RNA)
where:
Base-Base interactions energy: -74.761
where: short stacking energy: -72.149
Base-Backbone interact. energy: -1.053
local terms energy: -127.206528
where:
bonds (distance) C4'-P energy: -39.385
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -923.678665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.678665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.678665 (E_RNA)
where:
Base-Base interactions energy: -646.619
where: short stacking energy: -274.961
Base-Backbone interact. energy: -0.893
local terms energy: -276.166991
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -46.999
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -82.569
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: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -885.921561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.921561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.921561 (E_RNA)
where:
Base-Base interactions energy: -629.940
where: short stacking energy: -267.121
Base-Backbone interact. energy: -0.443
local terms energy: -255.538163
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -44.780
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -80.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -872.857094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.857094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.857094 (E_RNA)
where:
Base-Base interactions energy: -615.023
where: short stacking energy: -262.749
Base-Backbone interact. energy: -0.493
local terms energy: -257.340808
where:
bonds (distance) C4'-P energy: -41.130
bonds (distance) P-C4' energy: -44.271
flat angles C4'-P-C4' energy: -52.956
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -79.350
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: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -770.339667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.339667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.339667 (E_RNA)
where:
Base-Base interactions energy: -543.603
where: short stacking energy: -221.962
Base-Backbone interact. energy: -0.447
local terms energy: -226.289243
where:
bonds (distance) C4'-P energy: -40.589
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -39.659
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -65.099
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: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -757.593127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.593127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.593127 (E_RNA)
where:
Base-Base interactions energy: -530.016
where: short stacking energy: -229.330
Base-Backbone interact. energy: -0.458
local terms energy: -227.119765
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -44.061
flat angles C4'-P-C4' energy: -48.418
flat angles P-C4'-P energy: -32.248
tors. eta vs tors. theta energy: -62.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -666.110289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.110289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.110289 (E_RNA)
where:
Base-Base interactions energy: -461.190
where: short stacking energy: -193.527
Base-Backbone interact. energy: 0.310
local terms energy: -205.229625
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -40.548
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -55.782
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: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -635.804556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.804556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.804556 (E_RNA)
where:
Base-Base interactions energy: -424.038
where: short stacking energy: -182.147
Base-Backbone interact. energy: -0.389
local terms energy: -211.377551
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -39.514
flat angles C4'-P-C4' energy: -51.432
flat angles P-C4'-P energy: -31.266
tors. eta vs tors. theta energy: -54.427
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: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -404.968719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.968719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.968719 (E_RNA)
where:
Base-Base interactions energy: -232.918
where: short stacking energy: -123.504
Base-Backbone interact. energy: 0.605
local terms energy: -172.655525
where:
bonds (distance) C4'-P energy: -40.728
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -32.242
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: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -302.780524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.780524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.780524 (E_RNA)
where:
Base-Base interactions energy: -147.129
where: short stacking energy: -94.606
Base-Backbone interact. energy: 0.178
local terms energy: -155.830159
where:
bonds (distance) C4'-P energy: -47.916
bonds (distance) P-C4' energy: -43.824
flat angles C4'-P-C4' energy: -35.003
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -4.155
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: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -222.464420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.464420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.464420 (E_RNA)
where:
Base-Base interactions energy: -110.225
where: short stacking energy: -100.695
Base-Backbone interact. energy: -0.183
local terms energy: -112.056413
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -919.036826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.036826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.036826 (E_RNA)
where:
Base-Base interactions energy: -650.110
where: short stacking energy: -272.523
Base-Backbone interact. energy: -0.050
local terms energy: -268.876543
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -50.627
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -40.031
tors. eta vs tors. theta energy: -80.474
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -913.403971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.403971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.403971 (E_RNA)
where:
Base-Base interactions energy: -641.055
where: short stacking energy: -274.593
Base-Backbone interact. energy: -0.642
local terms energy: -271.707033
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -46.174
flat angles C4'-P-C4' energy: -60.298
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -83.541
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: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -888.058301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.058301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.058301 (E_RNA)
where:
Base-Base interactions energy: -638.304
where: short stacking energy: -266.969
Base-Backbone interact. energy: -0.066
local terms energy: -249.688891
where:
bonds (distance) C4'-P energy: -44.250
bonds (distance) P-C4' energy: -40.084
flat angles C4'-P-C4' energy: -50.982
flat angles P-C4'-P energy: -30.993
tors. eta vs tors. theta energy: -83.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -770.869438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.869438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.869438 (E_RNA)
where:
Base-Base interactions energy: -545.970
where: short stacking energy: -229.270
Base-Backbone interact. energy: 5.198
local terms energy: -230.097248
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -43.409
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -67.474
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: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -759.336356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.336356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.336356 (E_RNA)
where:
Base-Base interactions energy: -530.411
where: short stacking energy: -229.621
Base-Backbone interact. energy: -0.081
local terms energy: -228.844402
where:
bonds (distance) C4'-P energy: -45.840
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -29.480
tors. eta vs tors. theta energy: -66.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -688.311796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.311796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.311796 (E_RNA)
where:
Base-Base interactions energy: -475.031
where: short stacking energy: -192.854
Base-Backbone interact. energy: -0.202
local terms energy: -213.078519
where:
bonds (distance) C4'-P energy: -35.312
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -45.655
flat angles P-C4'-P energy: -30.079
tors. eta vs tors. theta energy: -53.925
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: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -637.235155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.235155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.235155 (E_RNA)
where:
Base-Base interactions energy: -420.336
where: short stacking energy: -188.639
Base-Backbone interact. energy: -0.781
local terms energy: -216.118339
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -41.223
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -35.359
tors. eta vs tors. theta energy: -61.656
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -402.020129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.020129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.020129 (E_RNA)
where:
Base-Base interactions energy: -248.922
where: short stacking energy: -127.000
Base-Backbone interact. energy: -0.562
local terms energy: -152.536195
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -273.423381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.423381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.423381 (E_RNA)
where:
Base-Base interactions energy: -134.941
where: short stacking energy: -75.699
Base-Backbone interact. energy: -0.732
local terms energy: -137.750159
where:
bonds (distance) C4'-P energy: -24.143
bonds (distance) P-C4' energy: -42.672
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -22.636
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: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -191.086960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.086960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.086960 (E_RNA)
where:
Base-Base interactions energy: -59.102
where: short stacking energy: -49.545
Base-Backbone interact. energy: 4.072
local terms energy: -136.056947
where:
bonds (distance) C4'-P energy: -33.580
bonds (distance) P-C4' energy: -46.070
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: 7.761
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: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -913.519959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.519959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.519959 (E_RNA)
where:
Base-Base interactions energy: -655.649
where: short stacking energy: -273.157
Base-Backbone interact. energy: -0.154
local terms energy: -257.717683
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -44.297
flat angles C4'-P-C4' energy: -54.015
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -82.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -893.299532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.299532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.299532 (E_RNA)
where:
Base-Base interactions energy: -632.977
where: short stacking energy: -269.238
Base-Backbone interact. energy: -0.396
local terms energy: -259.926409
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -52.162
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -81.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -874.878720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.878720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.878720 (E_RNA)
where:
Base-Base interactions energy: -603.088
where: short stacking energy: -251.636
Base-Backbone interact. energy: -0.230
local terms energy: -271.561090
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -44.011
flat angles C4'-P-C4' energy: -53.294
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -81.017
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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -783.018272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.018272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.018272 (E_RNA)
where:
Base-Base interactions energy: -536.625
where: short stacking energy: -229.667
Base-Backbone interact. energy: 0.286
local terms energy: -246.679244
where:
bonds (distance) C4'-P energy: -47.704
bonds (distance) P-C4' energy: -43.259
flat angles C4'-P-C4' energy: -49.084
flat angles P-C4'-P energy: -35.211
tors. eta vs tors. theta energy: -71.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -752.842499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.842499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.842499 (E_RNA)
where:
Base-Base interactions energy: -518.090
where: short stacking energy: -227.223
Base-Backbone interact. energy: -0.578
local terms energy: -234.173950
where:
bonds (distance) C4'-P energy: -41.363
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -53.331
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: -65.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -699.136998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.136998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.136998 (E_RNA)
where:
Base-Base interactions energy: -478.892
where: short stacking energy: -198.865
Base-Backbone interact. energy: 0.646
local terms energy: -220.890403
where:
bonds (distance) C4'-P energy: -41.998
bonds (distance) P-C4' energy: -48.238
flat angles C4'-P-C4' energy: -52.397
flat angles P-C4'-P energy: -29.387
tors. eta vs tors. theta energy: -48.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -591.406603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.406603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.406603 (E_RNA)
where:
Base-Base interactions energy: -399.614
where: short stacking energy: -177.407
Base-Backbone interact. energy: 1.087
local terms energy: -192.878995
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -44.598
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -28.875
tors. eta vs tors. theta energy: -45.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -393.488662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.488662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.488662 (E_RNA)
where:
Base-Base interactions energy: -247.630
where: short stacking energy: -129.832
Base-Backbone interact. energy: 2.469
local terms energy: -148.327896
where:
bonds (distance) C4'-P energy: -33.858
bonds (distance) P-C4' energy: -41.242
flat angles C4'-P-C4' energy: -26.738
flat angles P-C4'-P energy: -24.570
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: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -285.596256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.596256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.596256 (E_RNA)
where:
Base-Base interactions energy: -151.294
where: short stacking energy: -90.276
Base-Backbone interact. energy: -0.900
local terms energy: -133.402688
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -37.701
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -202.980553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.980553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.980553 (E_RNA)
where:
Base-Base interactions energy: -90.483
where: short stacking energy: -55.904
Base-Backbone interact. energy: -0.346
local terms energy: -112.150768
where:
bonds (distance) C4'-P energy: -35.946
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: 4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -913.399339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.399339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.399339 (E_RNA)
where:
Base-Base interactions energy: -648.717
where: short stacking energy: -269.629
Base-Backbone interact. energy: -0.720
local terms energy: -263.962525
where:
bonds (distance) C4'-P energy: -41.945
bonds (distance) P-C4' energy: -49.627
flat angles C4'-P-C4' energy: -56.182
flat angles P-C4'-P energy: -36.131
tors. eta vs tors. theta energy: -80.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -898.395481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.395481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.395481 (E_RNA)
where:
Base-Base interactions energy: -627.712
where: short stacking energy: -255.385
Base-Backbone interact. energy: -0.342
local terms energy: -270.341083
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -48.638
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -35.998
tors. eta vs tors. theta energy: -83.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -877.906570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.906570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.906570 (E_RNA)
where:
Base-Base interactions energy: -609.341
where: short stacking energy: -261.935
Base-Backbone interact. energy: -0.052
local terms energy: -268.513393
where:
bonds (distance) C4'-P energy: -44.353
bonds (distance) P-C4' energy: -46.572
flat angles C4'-P-C4' energy: -54.783
flat angles P-C4'-P energy: -38.102
tors. eta vs tors. theta energy: -84.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -787.457702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.457702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.457702 (E_RNA)
where:
Base-Base interactions energy: -547.679
where: short stacking energy: -245.621
Base-Backbone interact. energy: 0.746
local terms energy: -240.524951
where:
bonds (distance) C4'-P energy: -47.563
bonds (distance) P-C4' energy: -44.070
flat angles C4'-P-C4' energy: -47.759
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -68.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -763.666069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.666069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.666069 (E_RNA)
where:
Base-Base interactions energy: -530.479
where: short stacking energy: -212.322
Base-Backbone interact. energy: 0.273
local terms energy: -233.460971
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -41.785
flat angles C4'-P-C4' energy: -49.888
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -70.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -668.397934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.397934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.397934 (E_RNA)
where:
Base-Base interactions energy: -478.140
where: short stacking energy: -192.608
Base-Backbone interact. energy: -0.709
local terms energy: -189.549114
where:
bonds (distance) C4'-P energy: -37.967
bonds (distance) P-C4' energy: -33.315
flat angles C4'-P-C4' energy: -38.529
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -49.079
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: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -588.938876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.938876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.938876 (E_RNA)
where:
Base-Base interactions energy: -383.820
where: short stacking energy: -176.123
Base-Backbone interact. energy: 2.096
local terms energy: -207.215088
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -47.065
flat angles C4'-P-C4' energy: -43.412
flat angles P-C4'-P energy: -30.042
tors. eta vs tors. theta energy: -45.739
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: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -388.670683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.670683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.670683 (E_RNA)
where:
Base-Base interactions energy: -236.383
where: short stacking energy: -119.104
Base-Backbone interact. energy: -0.977
local terms energy: -151.310240
where:
bonds (distance) C4'-P energy: -37.676
bonds (distance) P-C4' energy: -36.431
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -268.792221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.792221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.792221 (E_RNA)
where:
Base-Base interactions energy: -119.989
where: short stacking energy: -82.691
Base-Backbone interact. energy: 0.195
local terms energy: -148.998560
where:
bonds (distance) C4'-P energy: -44.941
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -212.556360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.556360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.556360 (E_RNA)
where:
Base-Base interactions energy: -83.980
where: short stacking energy: -56.667
Base-Backbone interact. energy: -1.880
local terms energy: -126.697191
where:
bonds (distance) C4'-P energy: -43.259
bonds (distance) P-C4' energy: -29.715
flat angles C4'-P-C4' energy: -37.626
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: 2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -919.150145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.150145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.150145 (E_RNA)
where:
Base-Base interactions energy: -659.456
where: short stacking energy: -260.118
Base-Backbone interact. energy: -1.176
local terms energy: -258.517938
where:
bonds (distance) C4'-P energy: -37.873
bonds (distance) P-C4' energy: -44.074
flat angles C4'-P-C4' energy: -55.514
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -80.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -902.593571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.593571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.593571 (E_RNA)
where:
Base-Base interactions energy: -625.515
where: short stacking energy: -273.968
Base-Backbone interact. energy: -0.340
local terms energy: -276.738808
where:
bonds (distance) C4'-P energy: -42.039
bonds (distance) P-C4' energy: -50.504
flat angles C4'-P-C4' energy: -59.781
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -83.708
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: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -896.991530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.991530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.991530 (E_RNA)
where:
Base-Base interactions energy: -639.713
where: short stacking energy: -266.819
Base-Backbone interact. energy: -0.492
local terms energy: -256.786803
where:
bonds (distance) C4'-P energy: -42.224
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -35.645
tors. eta vs tors. theta energy: -83.909
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: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -782.258938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.258938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.258938 (E_RNA)
where:
Base-Base interactions energy: -546.488
where: short stacking energy: -225.320
Base-Backbone interact. energy: -1.119
local terms energy: -234.651739
where:
bonds (distance) C4'-P energy: -41.862
bonds (distance) P-C4' energy: -40.619
flat angles C4'-P-C4' energy: -49.907
flat angles P-C4'-P energy: -30.714
tors. eta vs tors. theta energy: -71.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -748.895468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.895468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.895468 (E_RNA)
where:
Base-Base interactions energy: -524.310
where: short stacking energy: -216.866
Base-Backbone interact. energy: -0.064
local terms energy: -224.522062
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -44.263
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -59.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -670.793597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.793597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.793597 (E_RNA)
where:
Base-Base interactions energy: -466.374
where: short stacking energy: -199.836
Base-Backbone interact. energy: -1.787
local terms energy: -202.633031
where:
bonds (distance) C4'-P energy: -37.758
bonds (distance) P-C4' energy: -43.190
flat angles C4'-P-C4' energy: -40.096
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -54.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -586.038175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.038175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.038175 (E_RNA)
where:
Base-Base interactions energy: -401.369
where: short stacking energy: -179.757
Base-Backbone interact. energy: 2.899
local terms energy: -187.567497
where:
bonds (distance) C4'-P energy: -43.002
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -45.623
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -39.726
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: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -416.689964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.689964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.689964 (E_RNA)
where:
Base-Base interactions energy: -260.872
where: short stacking energy: -131.893
Base-Backbone interact. energy: 0.974
local terms energy: -156.791724
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -47.513
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -24.704
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: 419
Temperature: 1.300000
Total energy: -287.067023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.067023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.067023 (E_RNA)
where:
Base-Base interactions energy: -141.930
where: short stacking energy: -80.398
Base-Backbone interact. energy: 0.995
local terms energy: -146.131602
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -33.157
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -30.391
tors. eta vs tors. theta energy: -10.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -206.068614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.068614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.068614 (E_RNA)
where:
Base-Base interactions energy: -63.050
where: short stacking energy: -57.674
Base-Backbone interact. energy: -2.709
local terms energy: -140.309848
where:
bonds (distance) C4'-P energy: -41.365
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -26.854
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -917.285006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.285006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.285006 (E_RNA)
where:
Base-Base interactions energy: -639.808
where: short stacking energy: -262.964
Base-Backbone interact. energy: -0.116
local terms energy: -277.361018
where:
bonds (distance) C4'-P energy: -47.806
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -80.242
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: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -897.890202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.890202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.890202 (E_RNA)
where:
Base-Base interactions energy: -641.045
where: short stacking energy: -271.042
Base-Backbone interact. energy: -0.210
local terms energy: -256.634825
where:
bonds (distance) C4'-P energy: -43.951
bonds (distance) P-C4' energy: -41.657
flat angles C4'-P-C4' energy: -53.344
flat angles P-C4'-P energy: -39.267
tors. eta vs tors. theta energy: -78.416
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: 5
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -892.017244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.017244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.017244 (E_RNA)
where:
Base-Base interactions energy: -627.139
where: short stacking energy: -256.917
Base-Backbone interact. energy: -1.262
local terms energy: -263.616456
where:
bonds (distance) C4'-P energy: -47.011
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: -81.717
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: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -787.257467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.257467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.257467 (E_RNA)
where:
Base-Base interactions energy: -542.053
where: short stacking energy: -231.580
Base-Backbone interact. energy: 2.080
local terms energy: -247.284818
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -43.324
flat angles C4'-P-C4' energy: -54.613
flat angles P-C4'-P energy: -35.628
tors. eta vs tors. theta energy: -67.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -754.573766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.573766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.573766 (E_RNA)
where:
Base-Base interactions energy: -548.647
where: short stacking energy: -225.640
Base-Backbone interact. energy: -0.687
local terms energy: -205.239248
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -67.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -692.509858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.509858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.509858 (E_RNA)
where:
Base-Base interactions energy: -487.730
where: short stacking energy: -200.873
Base-Backbone interact. energy: -0.258
local terms energy: -204.521266
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -41.968
flat angles P-C4'-P energy: -32.210
tors. eta vs tors. theta energy: -51.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -597.029393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.029393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.029393 (E_RNA)
where:
Base-Base interactions energy: -401.036
where: short stacking energy: -169.026
Base-Backbone interact. energy: -0.322
local terms energy: -195.671531
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -43.481
flat angles P-C4'-P energy: -29.381
tors. eta vs tors. theta energy: -43.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -394.596134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.596134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.596134 (E_RNA)
where:
Base-Base interactions energy: -245.100
where: short stacking energy: -116.810
Base-Backbone interact. energy: 3.720
local terms energy: -153.216847
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -43.604
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -266.914609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.914609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.914609 (E_RNA)
where:
Base-Base interactions energy: -133.023
where: short stacking energy: -71.696
Base-Backbone interact. energy: 0.075
local terms energy: -133.965930
where:
bonds (distance) C4'-P energy: -32.575
bonds (distance) P-C4' energy: -40.356
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -9.751
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: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -207.878495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.878495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.878495 (E_RNA)
where:
Base-Base interactions energy: -79.851
where: short stacking energy: -79.672
Base-Backbone interact. energy: -0.836
local terms energy: -127.191420
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -33.702
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -920.491477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.491477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.491477 (E_RNA)
where:
Base-Base interactions energy: -654.542
where: short stacking energy: -261.893
Base-Backbone interact. energy: 0.939
local terms energy: -266.888167
where:
bonds (distance) C4'-P energy: -35.482
bonds (distance) P-C4' energy: -48.680
flat angles C4'-P-C4' energy: -52.202
flat angles P-C4'-P energy: -45.988
tors. eta vs tors. theta energy: -84.535
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: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -893.102320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.102320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.102320 (E_RNA)
where:
Base-Base interactions energy: -643.990
where: short stacking energy: -265.453
Base-Backbone interact. energy: -0.470
local terms energy: -248.642732
where:
bonds (distance) C4'-P energy: -40.272
bonds (distance) P-C4' energy: -40.744
flat angles C4'-P-C4' energy: -51.262
flat angles P-C4'-P energy: -41.615
tors. eta vs tors. theta energy: -74.749
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: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -883.370289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.370289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.370289 (E_RNA)
where:
Base-Base interactions energy: -616.371
where: short stacking energy: -264.224
Base-Backbone interact. energy: -0.162
local terms energy: -266.837507
where:
bonds (distance) C4'-P energy: -44.099
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -51.946
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -84.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -793.885720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.885720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.885720 (E_RNA)
where:
Base-Base interactions energy: -540.365
where: short stacking energy: -240.853
Base-Backbone interact. energy: -0.355
local terms energy: -253.165510
where:
bonds (distance) C4'-P energy: -44.433
bonds (distance) P-C4' energy: -42.066
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -69.125
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: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -748.448092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.448092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.448092 (E_RNA)
where:
Base-Base interactions energy: -518.909
where: short stacking energy: -222.129
Base-Backbone interact. energy: -0.391
local terms energy: -229.148030
where:
bonds (distance) C4'-P energy: -42.814
bonds (distance) P-C4' energy: -42.954
flat angles C4'-P-C4' energy: -48.748
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -66.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -692.191110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.191110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.191110 (E_RNA)
where:
Base-Base interactions energy: -473.557
where: short stacking energy: -210.731
Base-Backbone interact. energy: -0.971
local terms energy: -217.663675
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -37.833
flat angles C4'-P-C4' energy: -49.019
flat angles P-C4'-P energy: -30.636
tors. eta vs tors. theta energy: -59.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -641.986385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.986385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.986385 (E_RNA)
where:
Base-Base interactions energy: -447.602
where: short stacking energy: -173.929
Base-Backbone interact. energy: 3.075
local terms energy: -197.459949
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -43.183
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -46.636
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: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -362.951979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.951979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.951979 (E_RNA)
where:
Base-Base interactions energy: -217.850
where: short stacking energy: -99.489
Base-Backbone interact. energy: 0.371
local terms energy: -145.472962
where:
bonds (distance) C4'-P energy: -31.438
bonds (distance) P-C4' energy: -39.429
flat angles C4'-P-C4' energy: -40.478
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -12.201
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: 421
Temperature: 1.300000
Total energy: -287.446621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.446621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.446621 (E_RNA)
where:
Base-Base interactions energy: -167.428
where: short stacking energy: -90.364
Base-Backbone interact. energy: -0.906
local terms energy: -119.112308
where:
bonds (distance) C4'-P energy: -35.712
bonds (distance) P-C4' energy: -33.302
flat angles C4'-P-C4' energy: -35.293
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -202.118757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.118757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.118757 (E_RNA)
where:
Base-Base interactions energy: -71.257
where: short stacking energy: -47.449
Base-Backbone interact. energy: 2.591
local terms energy: -133.453069
where:
bonds (distance) C4'-P energy: -44.651
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -29.266
tors. eta vs tors. theta energy: 4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -933.187314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.187314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.187314 (E_RNA)
where:
Base-Base interactions energy: -654.493
where: short stacking energy: -272.986
Base-Backbone interact. energy: -0.667
local terms energy: -278.027099
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -49.486
flat angles C4'-P-C4' energy: -56.551
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -85.434
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: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -905.228350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.228350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.228350 (E_RNA)
where:
Base-Base interactions energy: -644.419
where: short stacking energy: -255.856
Base-Backbone interact. energy: -0.760
local terms energy: -260.049003
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -52.589
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -77.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -880.399444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.399444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.399444 (E_RNA)
where:
Base-Base interactions energy: -618.773
where: short stacking energy: -261.537
Base-Backbone interact. energy: -0.017
local terms energy: -261.610043
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -47.426
flat angles C4'-P-C4' energy: -56.095
flat angles P-C4'-P energy: -33.774
tors. eta vs tors. theta energy: -84.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -785.540034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.540034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.540034 (E_RNA)
where:
Base-Base interactions energy: -544.804
where: short stacking energy: -235.891
Base-Backbone interact. energy: -1.000
local terms energy: -239.736407
where:
bonds (distance) C4'-P energy: -43.586
bonds (distance) P-C4' energy: -47.157
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: -70.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -731.135663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.135663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.135663 (E_RNA)
where:
Base-Base interactions energy: -519.732
where: short stacking energy: -216.587
Base-Backbone interact. energy: 0.137
local terms energy: -211.540937
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -29.692
tors. eta vs tors. theta energy: -58.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -709.246836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.246836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.246836 (E_RNA)
where:
Base-Base interactions energy: -471.854
where: short stacking energy: -206.093
Base-Backbone interact. energy: -0.095
local terms energy: -237.297178
where:
bonds (distance) C4'-P energy: -37.641
bonds (distance) P-C4' energy: -44.964
flat angles C4'-P-C4' energy: -47.697
flat angles P-C4'-P energy: -37.762
tors. eta vs tors. theta energy: -69.233
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: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -613.537693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.537693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.537693 (E_RNA)
where:
Base-Base interactions energy: -431.592
where: short stacking energy: -169.788
Base-Backbone interact. energy: -0.629
local terms energy: -181.317219
where:
bonds (distance) C4'-P energy: -31.094
bonds (distance) P-C4' energy: -37.897
flat angles C4'-P-C4' energy: -42.779
flat angles P-C4'-P energy: -32.121
tors. eta vs tors. theta energy: -37.426
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: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -407.034316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.034316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.034316 (E_RNA)
where:
Base-Base interactions energy: -236.042
where: short stacking energy: -115.643
Base-Backbone interact. energy: -1.209
local terms energy: -169.783808
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -39.629
flat angles C4'-P-C4' energy: -43.154
flat angles P-C4'-P energy: -28.798
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: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -319.770606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.770606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.770606 (E_RNA)
where:
Base-Base interactions energy: -183.570
where: short stacking energy: -111.467
Base-Backbone interact. energy: -0.211
local terms energy: -135.989720
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -44.953
flat angles C4'-P-C4' energy: -27.022
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -245.414039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.414039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.414039 (E_RNA)
where:
Base-Base interactions energy: -108.226
where: short stacking energy: -73.110
Base-Backbone interact. energy: 1.964
local terms energy: -139.151877
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -39.629
flat angles C4'-P-C4' energy: -39.748
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -916.602510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.602510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.602510 (E_RNA)
where:
Base-Base interactions energy: -641.776
where: short stacking energy: -268.870
Base-Backbone interact. energy: -0.586
local terms energy: -274.240330
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -55.034
flat angles P-C4'-P energy: -41.109
tors. eta vs tors. theta energy: -86.601
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: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -892.189843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.189843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.189843 (E_RNA)
where:
Base-Base interactions energy: -616.835
where: short stacking energy: -261.387
Base-Backbone interact. energy: -0.428
local terms energy: -274.927183
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -50.176
flat angles C4'-P-C4' energy: -53.618
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -82.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -897.535132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.535132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.535132 (E_RNA)
where:
Base-Base interactions energy: -624.622
where: short stacking energy: -267.330
Base-Backbone interact. energy: -0.028
local terms energy: -272.885217
where:
bonds (distance) C4'-P energy: -44.565
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -53.872
flat angles P-C4'-P energy: -39.259
tors. eta vs tors. theta energy: -85.307
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: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -770.927057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.927057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.927057 (E_RNA)
where:
Base-Base interactions energy: -540.335
where: short stacking energy: -230.778
Base-Backbone interact. energy: -0.775
local terms energy: -229.816354
where:
bonds (distance) C4'-P energy: -45.348
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -50.041
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -66.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -737.503005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.503005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.503005 (E_RNA)
where:
Base-Base interactions energy: -519.878
where: short stacking energy: -211.330
Base-Backbone interact. energy: -1.955
local terms energy: -215.670127
where:
bonds (distance) C4'-P energy: -38.188
bonds (distance) P-C4' energy: -43.192
flat angles C4'-P-C4' energy: -44.557
flat angles P-C4'-P energy: -29.361
tors. eta vs tors. theta energy: -60.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -662.156242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.156242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.156242 (E_RNA)
where:
Base-Base interactions energy: -451.991
where: short stacking energy: -192.870
Base-Backbone interact. energy: -0.895
local terms energy: -209.270391
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -35.960
flat angles C4'-P-C4' energy: -47.889
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -52.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -715.008773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.008773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.008773 (E_RNA)
where:
Base-Base interactions energy: -499.096
where: short stacking energy: -197.139
Base-Backbone interact. energy: -1.614
local terms energy: -214.299151
where:
bonds (distance) C4'-P energy: -39.627
bonds (distance) P-C4' energy: -45.792
flat angles C4'-P-C4' energy: -46.100
flat angles P-C4'-P energy: -23.679
tors. eta vs tors. theta energy: -59.101
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: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -402.057436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.057436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.057436 (E_RNA)
where:
Base-Base interactions energy: -220.772
where: short stacking energy: -111.847
Base-Backbone interact. energy: -1.862
local terms energy: -179.423492
where:
bonds (distance) C4'-P energy: -44.654
bonds (distance) P-C4' energy: -37.506
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -28.725
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -325.660725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.660725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.660725 (E_RNA)
where:
Base-Base interactions energy: -185.247
where: short stacking energy: -100.927
Base-Backbone interact. energy: 0.159
local terms energy: -140.572531
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -30.472
flat angles C4'-P-C4' energy: -40.900
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -255.522968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.522968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.522968 (E_RNA)
where:
Base-Base interactions energy: -116.591
where: short stacking energy: -73.093
Base-Backbone interact. energy: -0.063
local terms energy: -138.868914
where:
bonds (distance) C4'-P energy: -38.619
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -40.512
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -3.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -917.343356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.343356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.343356 (E_RNA)
where:
Base-Base interactions energy: -654.326
where: short stacking energy: -270.802
Base-Backbone interact. energy: -0.406
local terms energy: -262.611758
where:
bonds (distance) C4'-P energy: -44.663
bonds (distance) P-C4' energy: -45.213
flat angles C4'-P-C4' energy: -54.156
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -79.726
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: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -890.629616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.629616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.629616 (E_RNA)
where:
Base-Base interactions energy: -631.359
where: short stacking energy: -272.874
Base-Backbone interact. energy: -0.520
local terms energy: -258.750180
where:
bonds (distance) C4'-P energy: -40.466
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -51.766
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -81.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -883.814347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.814347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.814347 (E_RNA)
where:
Base-Base interactions energy: -622.020
where: short stacking energy: -274.808
Base-Backbone interact. energy: -0.063
local terms energy: -261.731015
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: -82.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -764.730896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.730896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.730896 (E_RNA)
where:
Base-Base interactions energy: -532.828
where: short stacking energy: -220.663
Base-Backbone interact. energy: -1.633
local terms energy: -230.270470
where:
bonds (distance) C4'-P energy: -45.507
bonds (distance) P-C4' energy: -41.760
flat angles C4'-P-C4' energy: -50.677
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -63.892
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -738.543653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.543653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.543653 (E_RNA)
where:
Base-Base interactions energy: -531.688
where: short stacking energy: -218.766
Base-Backbone interact. energy: 0.011
local terms energy: -206.865796
where:
bonds (distance) C4'-P energy: -31.334
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -45.036
flat angles P-C4'-P energy: -37.663
tors. eta vs tors. theta energy: -60.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -663.633083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.633083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.633083 (E_RNA)
where:
Base-Base interactions energy: -445.196
where: short stacking energy: -186.614
Base-Backbone interact. energy: 0.405
local terms energy: -218.842662
where:
bonds (distance) C4'-P energy: -36.105
bonds (distance) P-C4' energy: -49.801
flat angles C4'-P-C4' energy: -50.681
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -52.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -714.298969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.298969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.298969 (E_RNA)
where:
Base-Base interactions energy: -483.916
where: short stacking energy: -206.839
Base-Backbone interact. energy: 0.138
local terms energy: -230.521051
where:
bonds (distance) C4'-P energy: -44.356
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -50.117
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -62.845
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: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -399.104095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.104095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.104095 (E_RNA)
where:
Base-Base interactions energy: -239.402
where: short stacking energy: -112.465
Base-Backbone interact. energy: -0.707
local terms energy: -158.995034
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -46.177
flat angles C4'-P-C4' energy: -32.785
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -319.574994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.574994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.574994 (E_RNA)
where:
Base-Base interactions energy: -175.288
where: short stacking energy: -115.654
Base-Backbone interact. energy: -0.963
local terms energy: -143.324211
where:
bonds (distance) C4'-P energy: -35.290
bonds (distance) P-C4' energy: -33.774
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -202.352054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.352054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.352054 (E_RNA)
where:
Base-Base interactions energy: -75.666
where: short stacking energy: -62.748
Base-Backbone interact. energy: -1.069
local terms energy: -125.617059
where:
bonds (distance) C4'-P energy: -34.934
bonds (distance) P-C4' energy: -42.056
flat angles C4'-P-C4' energy: -36.303
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -914.658451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.658451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.658451 (E_RNA)
where:
Base-Base interactions energy: -659.906
where: short stacking energy: -268.968
Base-Backbone interact. energy: -0.359
local terms energy: -254.393834
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -47.276
flat angles C4'-P-C4' energy: -45.158
flat angles P-C4'-P energy: -36.277
tors. eta vs tors. theta energy: -77.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -901.448623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.448623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.448623 (E_RNA)
where:
Base-Base interactions energy: -629.817
where: short stacking energy: -267.261
Base-Backbone interact. energy: -0.430
local terms energy: -271.201788
where:
bonds (distance) C4'-P energy: -45.936
bonds (distance) P-C4' energy: -46.100
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -39.070
tors. eta vs tors. theta energy: -84.057
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: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -878.881376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.881376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.881376 (E_RNA)
where:
Base-Base interactions energy: -624.787
where: short stacking energy: -259.672
Base-Backbone interact. energy: -0.831
local terms energy: -253.263205
where:
bonds (distance) C4'-P energy: -42.142
bonds (distance) P-C4' energy: -46.702
flat angles C4'-P-C4' energy: -52.215
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: -78.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -768.219678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.219678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.219678 (E_RNA)
where:
Base-Base interactions energy: -523.108
where: short stacking energy: -225.449
Base-Backbone interact. energy: -0.137
local terms energy: -244.974875
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -51.164
flat angles P-C4'-P energy: -32.906
tors. eta vs tors. theta energy: -69.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -766.727229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.727229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.727229 (E_RNA)
where:
Base-Base interactions energy: -527.357
where: short stacking energy: -236.079
Base-Backbone interact. energy: -1.183
local terms energy: -238.187707
where:
bonds (distance) C4'-P energy: -34.453
bonds (distance) P-C4' energy: -43.130
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -76.634
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: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -738.257202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.257202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.257202 (E_RNA)
where:
Base-Base interactions energy: -500.230
where: short stacking energy: -223.808
Base-Backbone interact. energy: 1.345
local terms energy: -239.371712
where:
bonds (distance) C4'-P energy: -42.616
bonds (distance) P-C4' energy: -42.428
flat angles C4'-P-C4' energy: -51.168
flat angles P-C4'-P energy: -32.478
tors. eta vs tors. theta energy: -70.681
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: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -644.297527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.297527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.297527 (E_RNA)
where:
Base-Base interactions energy: -443.726
where: short stacking energy: -192.133
Base-Backbone interact. energy: -1.116
local terms energy: -199.455084
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -36.238
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -54.872
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: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -409.843216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.843216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.843216 (E_RNA)
where:
Base-Base interactions energy: -246.535
where: short stacking energy: -132.435
Base-Backbone interact. energy: -0.080
local terms energy: -163.227686
where:
bonds (distance) C4'-P energy: -35.601
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -47.851
flat angles P-C4'-P energy: -17.413
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: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -276.478590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.478590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.478590 (E_RNA)
where:
Base-Base interactions energy: -167.726
where: short stacking energy: -102.397
Base-Backbone interact. energy: -0.463
local terms energy: -108.289527
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -30.401
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -16.654
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -208.997653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.997653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.997653 (E_RNA)
where:
Base-Base interactions energy: -95.360
where: short stacking energy: -58.357
Base-Backbone interact. energy: 0.621
local terms energy: -114.259227
where:
bonds (distance) C4'-P energy: -40.522
bonds (distance) P-C4' energy: -28.623
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -20.667
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: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -895.704797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.704797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.704797 (E_RNA)
where:
Base-Base interactions energy: -635.630
where: short stacking energy: -258.597
Base-Backbone interact. energy: 0.339
local terms energy: -260.414165
where:
bonds (distance) C4'-P energy: -44.428
bonds (distance) P-C4' energy: -46.111
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -77.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -908.226760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.226760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.226760 (E_RNA)
where:
Base-Base interactions energy: -634.784
where: short stacking energy: -266.390
Base-Backbone interact. energy: -0.027
local terms energy: -273.415952
where:
bonds (distance) C4'-P energy: -47.117
bonds (distance) P-C4' energy: -48.309
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -41.099
tors. eta vs tors. theta energy: -81.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -871.818475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.818475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.818475 (E_RNA)
where:
Base-Base interactions energy: -614.710
where: short stacking energy: -251.538
Base-Backbone interact. energy: -0.784
local terms energy: -256.324346
where:
bonds (distance) C4'-P energy: -41.807
bonds (distance) P-C4' energy: -47.472
flat angles C4'-P-C4' energy: -50.842
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -78.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -758.590027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.590027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.590027 (E_RNA)
where:
Base-Base interactions energy: -520.310
where: short stacking energy: -223.058
Base-Backbone interact. energy: -0.033
local terms energy: -238.247373
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -70.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -740.324948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.324948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.324948 (E_RNA)
where:
Base-Base interactions energy: -522.494
where: short stacking energy: -222.704
Base-Backbone interact. energy: -0.205
local terms energy: -217.625816
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -43.666
flat angles C4'-P-C4' energy: -48.417
flat angles P-C4'-P energy: -27.618
tors. eta vs tors. theta energy: -66.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -750.593493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.593493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.593493 (E_RNA)
where:
Base-Base interactions energy: -521.800
where: short stacking energy: -224.725
Base-Backbone interact. energy: -0.986
local terms energy: -227.807237
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -52.506
flat angles C4'-P-C4' energy: -44.608
flat angles P-C4'-P energy: -25.176
tors. eta vs tors. theta energy: -71.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -658.711367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.711367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.711367 (E_RNA)
where:
Base-Base interactions energy: -463.775
where: short stacking energy: -194.394
Base-Backbone interact. energy: -1.138
local terms energy: -193.798652
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -40.694
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -49.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -418.972164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.972164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.972164 (E_RNA)
where:
Base-Base interactions energy: -254.040
where: short stacking energy: -109.626
Base-Backbone interact. energy: -0.437
local terms energy: -164.495488
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -36.473
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -31.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -290.428894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.428894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.428894 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -88.845
Base-Backbone interact. energy: -1.216
local terms energy: -149.682168
where:
bonds (distance) C4'-P energy: -45.225
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -36.000
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -208.384167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.384167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.384167 (E_RNA)
where:
Base-Base interactions energy: -74.411
where: short stacking energy: -46.690
Base-Backbone interact. energy: 2.323
local terms energy: -136.296180
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -44.306
flat angles C4'-P-C4' energy: -38.342
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -896.327847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.327847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.327847 (E_RNA)
where:
Base-Base interactions energy: -635.807
where: short stacking energy: -281.752
Base-Backbone interact. energy: -0.074
local terms energy: -260.447064
where:
bonds (distance) C4'-P energy: -34.892
bonds (distance) P-C4' energy: -45.366
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -86.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -900.077964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.077964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.077964 (E_RNA)
where:
Base-Base interactions energy: -625.801
where: short stacking energy: -286.143
Base-Backbone interact. energy: -0.133
local terms energy: -274.144710
where:
bonds (distance) C4'-P energy: -50.691
bonds (distance) P-C4' energy: -44.922
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -41.078
tors. eta vs tors. theta energy: -88.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -881.709897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.709897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.709897 (E_RNA)
where:
Base-Base interactions energy: -629.638
where: short stacking energy: -271.383
Base-Backbone interact. energy: -0.129
local terms energy: -251.942377
where:
bonds (distance) C4'-P energy: -42.798
bonds (distance) P-C4' energy: -44.054
flat angles C4'-P-C4' energy: -56.617
flat angles P-C4'-P energy: -33.211
tors. eta vs tors. theta energy: -75.262
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: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -777.482949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.482949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.482949 (E_RNA)
where:
Base-Base interactions energy: -530.017
where: short stacking energy: -218.319
Base-Backbone interact. energy: -0.647
local terms energy: -246.819302
where:
bonds (distance) C4'-P energy: -43.509
bonds (distance) P-C4' energy: -47.811
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -65.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -723.950240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.950240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.950240 (E_RNA)
where:
Base-Base interactions energy: -500.976
where: short stacking energy: -205.412
Base-Backbone interact. energy: -0.355
local terms energy: -222.619028
where:
bonds (distance) C4'-P energy: -46.958
bonds (distance) P-C4' energy: -31.385
flat angles C4'-P-C4' energy: -44.865
flat angles P-C4'-P energy: -35.393
tors. eta vs tors. theta energy: -64.018
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: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -734.036272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.036272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.036272 (E_RNA)
where:
Base-Base interactions energy: -497.873
where: short stacking energy: -217.368
Base-Backbone interact. energy: -0.799
local terms energy: -235.364344
where:
bonds (distance) C4'-P energy: -41.611
bonds (distance) P-C4' energy: -43.309
flat angles C4'-P-C4' energy: -49.345
flat angles P-C4'-P energy: -30.629
tors. eta vs tors. theta energy: -70.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -660.797726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.797726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.797726 (E_RNA)
where:
Base-Base interactions energy: -446.094
where: short stacking energy: -190.476
Base-Backbone interact. energy: -0.371
local terms energy: -214.333137
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -58.351
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: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -410.211075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.211075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.211075 (E_RNA)
where:
Base-Base interactions energy: -243.797
where: short stacking energy: -123.629
Base-Backbone interact. energy: -2.732
local terms energy: -163.681667
where:
bonds (distance) C4'-P energy: -33.146
bonds (distance) P-C4' energy: -49.742
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -305.323138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.323138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.323138 (E_RNA)
where:
Base-Base interactions energy: -166.330
where: short stacking energy: -78.784
Base-Backbone interact. energy: 0.050
local terms energy: -139.042922
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -46.028
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -200.784229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.784229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.784229 (E_RNA)
where:
Base-Base interactions energy: -73.611
where: short stacking energy: -60.087
Base-Backbone interact. energy: 2.762
local terms energy: -129.935440
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -29.133
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: 2.644
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: 1, replica: 9
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -904.231237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.231237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.231237 (E_RNA)
where:
Base-Base interactions energy: -642.515
where: short stacking energy: -271.186
Base-Backbone interact. energy: -0.063
local terms energy: -261.653668
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -45.378
flat angles C4'-P-C4' energy: -55.189
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -86.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -881.836693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.836693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.836693 (E_RNA)
where:
Base-Base interactions energy: -625.023
where: short stacking energy: -263.750
Base-Backbone interact. energy: -0.399
local terms energy: -256.415156
where:
bonds (distance) C4'-P energy: -43.083
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -51.910
flat angles P-C4'-P energy: -42.629
tors. eta vs tors. theta energy: -81.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -883.852165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.852165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.852165 (E_RNA)
where:
Base-Base interactions energy: -617.810
where: short stacking energy: -259.745
Base-Backbone interact. energy: -0.264
local terms energy: -265.777616
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -47.536
flat angles C4'-P-C4' energy: -55.433
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -79.317
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: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -753.313723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.313723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.313723 (E_RNA)
where:
Base-Base interactions energy: -513.035
where: short stacking energy: -215.649
Base-Backbone interact. energy: -0.009
local terms energy: -240.270073
where:
bonds (distance) C4'-P energy: -40.267
bonds (distance) P-C4' energy: -41.339
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -66.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -722.575637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.575637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.575637 (E_RNA)
where:
Base-Base interactions energy: -483.427
where: short stacking energy: -203.462
Base-Backbone interact. energy: 0.991
local terms energy: -240.139579
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -46.419
flat angles P-C4'-P energy: -34.845
tors. eta vs tors. theta energy: -64.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -720.952934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.952934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.952934 (E_RNA)
where:
Base-Base interactions energy: -490.856
where: short stacking energy: -196.436
Base-Backbone interact. energy: -0.396
local terms energy: -229.700959
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -42.264
flat angles C4'-P-C4' energy: -45.030
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -60.206
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: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -687.643674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.643674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.643674 (E_RNA)
where:
Base-Base interactions energy: -459.862
where: short stacking energy: -205.445
Base-Backbone interact. energy: -0.194
local terms energy: -227.588080
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -42.525
flat angles C4'-P-C4' energy: -50.120
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: -64.654
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: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -366.387220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.387220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.387220 (E_RNA)
where:
Base-Base interactions energy: -212.528
where: short stacking energy: -107.191
Base-Backbone interact. energy: 0.244
local terms energy: -154.103115
where:
bonds (distance) C4'-P energy: -33.764
bonds (distance) P-C4' energy: -48.704
flat angles C4'-P-C4' energy: -38.627
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -350.719248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.719248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.719248 (E_RNA)
where:
Base-Base interactions energy: -195.737
where: short stacking energy: -98.932
Base-Backbone interact. energy: -1.817
local terms energy: -153.166015
where:
bonds (distance) C4'-P energy: -34.985
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -41.835
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -193.568169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.568169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.568169 (E_RNA)
where:
Base-Base interactions energy: -83.216
where: short stacking energy: -71.579
Base-Backbone interact. energy: 0.751
local terms energy: -111.103924
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -32.029
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -919.329546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.329546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.329546 (E_RNA)
where:
Base-Base interactions energy: -645.272
where: short stacking energy: -269.940
Base-Backbone interact. energy: -0.385
local terms energy: -273.673439
where:
bonds (distance) C4'-P energy: -45.462
bonds (distance) P-C4' energy: -49.728
flat angles C4'-P-C4' energy: -55.625
flat angles P-C4'-P energy: -41.738
tors. eta vs tors. theta energy: -81.120
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: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -894.934854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.934854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.934854 (E_RNA)
where:
Base-Base interactions energy: -634.966
where: short stacking energy: -274.544
Base-Backbone interact. energy: -0.013
local terms energy: -259.955273
where:
bonds (distance) C4'-P energy: -45.793
bonds (distance) P-C4' energy: -39.494
flat angles C4'-P-C4' energy: -55.324
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -81.801
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: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -874.631038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.631038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.631038 (E_RNA)
where:
Base-Base interactions energy: -631.779
where: short stacking energy: -259.792
Base-Backbone interact. energy: -0.326
local terms energy: -242.526675
where:
bonds (distance) C4'-P energy: -44.289
bonds (distance) P-C4' energy: -35.421
flat angles C4'-P-C4' energy: -49.537
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -75.681
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: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -747.972135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.972135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.972135 (E_RNA)
where:
Base-Base interactions energy: -510.205
where: short stacking energy: -224.259
Base-Backbone interact. energy: -0.659
local terms energy: -237.108215
where:
bonds (distance) C4'-P energy: -40.880
bonds (distance) P-C4' energy: -36.841
flat angles C4'-P-C4' energy: -55.096
flat angles P-C4'-P energy: -44.195
tors. eta vs tors. theta energy: -60.096
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: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -763.795032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.795032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.795032 (E_RNA)
where:
Base-Base interactions energy: -540.611
where: short stacking energy: -229.594
Base-Backbone interact. energy: -0.305
local terms energy: -222.879503
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -46.443
flat angles C4'-P-C4' energy: -42.316
flat angles P-C4'-P energy: -29.386
tors. eta vs tors. theta energy: -62.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -715.964430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.964430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.964430 (E_RNA)
where:
Base-Base interactions energy: -515.578
where: short stacking energy: -221.518
Base-Backbone interact. energy: 2.169
local terms energy: -202.555415
where:
bonds (distance) C4'-P energy: -41.121
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: -62.475
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: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -689.193278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.193278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.193278 (E_RNA)
where:
Base-Base interactions energy: -486.076
where: short stacking energy: -199.377
Base-Backbone interact. energy: -0.648
local terms energy: -202.469228
where:
bonds (distance) C4'-P energy: -42.595
bonds (distance) P-C4' energy: -43.997
flat angles C4'-P-C4' energy: -52.668
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -50.873
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: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -361.010866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.010866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.010866 (E_RNA)
where:
Base-Base interactions energy: -197.917
where: short stacking energy: -98.782
Base-Backbone interact. energy: -0.774
local terms energy: -162.319477
where:
bonds (distance) C4'-P energy: -39.014
bonds (distance) P-C4' energy: -39.583
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -35.423
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: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -346.833042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.833042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.833042 (E_RNA)
where:
Base-Base interactions energy: -195.443
where: short stacking energy: -98.377
Base-Backbone interact. energy: 2.419
local terms energy: -153.808640
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -39.846
flat angles P-C4'-P energy: -27.521
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: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -206.140606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.140606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.140606 (E_RNA)
where:
Base-Base interactions energy: -74.275
where: short stacking energy: -58.970
Base-Backbone interact. energy: 3.134
local terms energy: -134.999485
where:
bonds (distance) C4'-P energy: -38.773
bonds (distance) P-C4' energy: -37.566
flat angles C4'-P-C4' energy: -40.843
flat angles P-C4'-P energy: -28.210
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: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -915.920139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.920139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.920139 (E_RNA)
where:
Base-Base interactions energy: -645.704
where: short stacking energy: -273.772
Base-Backbone interact. energy: -0.004
local terms energy: -270.212120
where:
bonds (distance) C4'-P energy: -46.259
bonds (distance) P-C4' energy: -49.782
flat angles C4'-P-C4' energy: -56.237
flat angles P-C4'-P energy: -36.966
tors. eta vs tors. theta energy: -80.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -900.824556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.824556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.824556 (E_RNA)
where:
Base-Base interactions energy: -645.066
where: short stacking energy: -270.790
Base-Backbone interact. energy: -0.108
local terms energy: -255.650782
where:
bonds (distance) C4'-P energy: -43.014
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -56.668
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -77.016
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: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -861.110440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.110440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.110440 (E_RNA)
where:
Base-Base interactions energy: -614.411
where: short stacking energy: -263.264
Base-Backbone interact. energy: 1.165
local terms energy: -247.863940
where:
bonds (distance) C4'-P energy: -40.938
bonds (distance) P-C4' energy: -41.616
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -75.640
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: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -741.888224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.888224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.888224 (E_RNA)
where:
Base-Base interactions energy: -507.935
where: short stacking energy: -218.856
Base-Backbone interact. energy: -0.134
local terms energy: -233.819294
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -39.714
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -30.378
tors. eta vs tors. theta energy: -67.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -772.707920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.707920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.707920 (E_RNA)
where:
Base-Base interactions energy: -536.101
where: short stacking energy: -229.812
Base-Backbone interact. energy: -0.063
local terms energy: -236.543253
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -53.847
flat angles P-C4'-P energy: -27.176
tors. eta vs tors. theta energy: -61.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -721.401633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.401633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.401633 (E_RNA)
where:
Base-Base interactions energy: -527.489
where: short stacking energy: -201.459
Base-Backbone interact. energy: -1.123
local terms energy: -192.789756
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -35.100
flat angles C4'-P-C4' energy: -42.360
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -57.191
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: 430
Temperature: 1.200000
Total energy: -682.911605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.911605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.911605 (E_RNA)
where:
Base-Base interactions energy: -472.970
where: short stacking energy: -188.480
Base-Backbone interact. energy: -1.129
local terms energy: -208.812127
where:
bonds (distance) C4'-P energy: -40.891
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -58.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -359.465910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.465910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.465910 (E_RNA)
where:
Base-Base interactions energy: -216.471
where: short stacking energy: -114.828
Base-Backbone interact. energy: 2.052
local terms energy: -145.047320
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -30.544
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -11.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -325.639171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.639171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.639171 (E_RNA)
where:
Base-Base interactions energy: -171.349
where: short stacking energy: -86.690
Base-Backbone interact. energy: -1.643
local terms energy: -152.646714
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -41.161
flat angles P-C4'-P energy: -23.216
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -208.011053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.011053 (E_RNA)
where:
Base-Base interactions energy: -68.387
where: short stacking energy: -67.877
Base-Backbone interact. energy: -1.696
local terms energy: -137.927495
where:
bonds (distance) C4'-P energy: -35.587
bonds (distance) P-C4' energy: -45.150
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -908.273682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.273682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.273682 (E_RNA)
where:
Base-Base interactions energy: -633.368
where: short stacking energy: -269.667
Base-Backbone interact. energy: -0.531
local terms energy: -274.374500
where:
bonds (distance) C4'-P energy: -44.139
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -36.070
tors. eta vs tors. theta energy: -85.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -889.112147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.112147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.112147 (E_RNA)
where:
Base-Base interactions energy: -634.748
where: short stacking energy: -274.237
Base-Backbone interact. energy: -0.059
local terms energy: -254.305247
where:
bonds (distance) C4'-P energy: -41.914
bonds (distance) P-C4' energy: -44.593
flat angles C4'-P-C4' energy: -49.873
flat angles P-C4'-P energy: -35.956
tors. eta vs tors. theta energy: -81.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -867.397379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.397379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.397379 (E_RNA)
where:
Base-Base interactions energy: -617.654
where: short stacking energy: -257.666
Base-Backbone interact. energy: -0.989
local terms energy: -248.755205
where:
bonds (distance) C4'-P energy: -40.605
bonds (distance) P-C4' energy: -43.493
flat angles C4'-P-C4' energy: -48.243
flat angles P-C4'-P energy: -36.449
tors. eta vs tors. theta energy: -79.965
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: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -731.141007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.141007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.141007 (E_RNA)
where:
Base-Base interactions energy: -509.519
where: short stacking energy: -222.049
Base-Backbone interact. energy: -0.168
local terms energy: -221.454175
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -49.813
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -62.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -750.700996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.700996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.700996 (E_RNA)
where:
Base-Base interactions energy: -528.816
where: short stacking energy: -220.048
Base-Backbone interact. energy: -0.242
local terms energy: -221.643231
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -41.053
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: -64.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -696.097455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.097455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.097455 (E_RNA)
where:
Base-Base interactions energy: -468.547
where: short stacking energy: -192.389
Base-Backbone interact. energy: -0.463
local terms energy: -227.087631
where:
bonds (distance) C4'-P energy: -31.013
bonds (distance) P-C4' energy: -41.615
flat angles C4'-P-C4' energy: -53.979
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -62.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -676.692844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.692844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.692844 (E_RNA)
where:
Base-Base interactions energy: -450.492
where: short stacking energy: -193.030
Base-Backbone interact. energy: -0.501
local terms energy: -225.700339
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -47.398
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -57.687
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -384.344822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.344822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.344822 (E_RNA)
where:
Base-Base interactions energy: -219.570
where: short stacking energy: -113.236
Base-Backbone interact. energy: 0.193
local terms energy: -164.968099
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -45.069
flat angles C4'-P-C4' energy: -43.460
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -349.805445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.805445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.805445 (E_RNA)
where:
Base-Base interactions energy: -200.678
where: short stacking energy: -100.592
Base-Backbone interact. energy: 4.411
local terms energy: -153.538307
where:
bonds (distance) C4'-P energy: -35.826
bonds (distance) P-C4' energy: -43.802
flat angles C4'-P-C4' energy: -41.501
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -12.247
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: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -197.709107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.709107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.709107 (E_RNA)
where:
Base-Base interactions energy: -74.598
where: short stacking energy: -66.308
Base-Backbone interact. energy: -0.694
local terms energy: -122.417509
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -26.115
flat angles P-C4'-P energy: -28.190
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: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -904.196095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.196095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.196095 (E_RNA)
where:
Base-Base interactions energy: -631.312
where: short stacking energy: -271.134
Base-Backbone interact. energy: -0.310
local terms energy: -272.574756
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -46.090
flat angles C4'-P-C4' energy: -55.888
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -87.865
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: 2, replica: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -898.185821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.185821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.185821 (E_RNA)
where:
Base-Base interactions energy: -632.480
where: short stacking energy: -275.644
Base-Backbone interact. energy: -0.013
local terms energy: -265.692285
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -49.351
flat angles C4'-P-C4' energy: -56.490
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -84.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -876.580179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.580179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.580179 (E_RNA)
where:
Base-Base interactions energy: -619.013
where: short stacking energy: -266.592
Base-Backbone interact. energy: -0.286
local terms energy: -257.280944
where:
bonds (distance) C4'-P energy: -36.299
bonds (distance) P-C4' energy: -44.021
flat angles C4'-P-C4' energy: -51.050
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: -81.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -741.303006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.303006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.303006 (E_RNA)
where:
Base-Base interactions energy: -531.620
where: short stacking energy: -223.957
Base-Backbone interact. energy: -0.550
local terms energy: -209.133165
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -38.919
flat angles C4'-P-C4' energy: -46.378
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -65.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -756.107141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.107141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.107141 (E_RNA)
where:
Base-Base interactions energy: -517.541
where: short stacking energy: -215.234
Base-Backbone interact. energy: -1.146
local terms energy: -237.419986
where:
bonds (distance) C4'-P energy: -43.738
bonds (distance) P-C4' energy: -41.225
flat angles C4'-P-C4' energy: -47.756
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -63.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -709.352053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.352053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.352053 (E_RNA)
where:
Base-Base interactions energy: -499.294
where: short stacking energy: -218.762
Base-Backbone interact. energy: 1.017
local terms energy: -211.074409
where:
bonds (distance) C4'-P energy: -41.444
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -47.404
flat angles P-C4'-P energy: -28.254
tors. eta vs tors. theta energy: -59.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -672.552801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.552801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.552801 (E_RNA)
where:
Base-Base interactions energy: -479.429
where: short stacking energy: -198.610
Base-Backbone interact. energy: -0.316
local terms energy: -192.807909
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -37.365
flat angles C4'-P-C4' energy: -45.682
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -54.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -375.605323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.605323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.605323 (E_RNA)
where:
Base-Base interactions energy: -226.511
where: short stacking energy: -110.112
Base-Backbone interact. energy: 0.031
local terms energy: -149.125241
where:
bonds (distance) C4'-P energy: -35.829
bonds (distance) P-C4' energy: -40.281
flat angles C4'-P-C4' energy: -40.498
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -371.553581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.553581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.553581 (E_RNA)
where:
Base-Base interactions energy: -216.807
where: short stacking energy: -97.183
Base-Backbone interact. energy: -1.736
local terms energy: -153.010658
where:
bonds (distance) C4'-P energy: -39.925
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -35.281
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -211.069138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.069138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.069138 (E_RNA)
where:
Base-Base interactions energy: -82.942
where: short stacking energy: -49.609
Base-Backbone interact. energy: -0.386
local terms energy: -127.741707
where:
bonds (distance) C4'-P energy: -29.056
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -45.235
flat angles P-C4'-P energy: -22.151
tors. eta vs tors. theta energy: 4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -917.781409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.781409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.781409 (E_RNA)
where:
Base-Base interactions energy: -668.457
where: short stacking energy: -273.577
Base-Backbone interact. energy: -0.123
local terms energy: -249.201143
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -42.616
flat angles C4'-P-C4' energy: -51.584
flat angles P-C4'-P energy: -38.795
tors. eta vs tors. theta energy: -82.455
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: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -887.621410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.621410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.621410 (E_RNA)
where:
Base-Base interactions energy: -634.739
where: short stacking energy: -250.251
Base-Backbone interact. energy: -0.857
local terms energy: -252.025795
where:
bonds (distance) C4'-P energy: -45.058
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -77.402
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -889.761845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.761845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.761845 (E_RNA)
where:
Base-Base interactions energy: -620.725
where: short stacking energy: -259.517
Base-Backbone interact. energy: -0.650
local terms energy: -268.387037
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -82.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -773.789592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.789592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.789592 (E_RNA)
where:
Base-Base interactions energy: -535.754
where: short stacking energy: -238.874
Base-Backbone interact. energy: -0.237
local terms energy: -237.799078
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -36.737
flat angles C4'-P-C4' energy: -50.605
flat angles P-C4'-P energy: -36.833
tors. eta vs tors. theta energy: -70.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -699.712013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.712013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.712013 (E_RNA)
where:
Base-Base interactions energy: -484.230
where: short stacking energy: -220.078
Base-Backbone interact. energy: -0.222
local terms energy: -215.259410
where:
bonds (distance) C4'-P energy: -37.567
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -45.258
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -62.914
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: 1
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -688.895888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.895888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.895888 (E_RNA)
where:
Base-Base interactions energy: -477.478
where: short stacking energy: -200.744
Base-Backbone interact. energy: 0.384
local terms energy: -211.801925
where:
bonds (distance) C4'-P energy: -43.363
bonds (distance) P-C4' energy: -39.876
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -50.583
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: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -692.293870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.293870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.293870 (E_RNA)
where:
Base-Base interactions energy: -473.333
where: short stacking energy: -211.029
Base-Backbone interact. energy: -0.318
local terms energy: -218.643392
where:
bonds (distance) C4'-P energy: -30.741
bonds (distance) P-C4' energy: -39.071
flat angles C4'-P-C4' energy: -51.107
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -69.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -379.898745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.898745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.898745 (E_RNA)
where:
Base-Base interactions energy: -215.561
where: short stacking energy: -108.111
Base-Backbone interact. energy: -1.369
local terms energy: -162.969699
where:
bonds (distance) C4'-P energy: -41.714
bonds (distance) P-C4' energy: -43.062
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -18.458
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: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -375.492766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.492766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.492766 (E_RNA)
where:
Base-Base interactions energy: -225.722
where: short stacking energy: -120.825
Base-Backbone interact. energy: 0.447
local terms energy: -150.217939
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -36.819
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -199.931135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.931135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.931135 (E_RNA)
where:
Base-Base interactions energy: -95.854
where: short stacking energy: -57.777
Base-Backbone interact. energy: 1.827
local terms energy: -105.903209
where:
bonds (distance) C4'-P energy: -36.531
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: 14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -909.076324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.076324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.076324 (E_RNA)
where:
Base-Base interactions energy: -640.684
where: short stacking energy: -269.768
Base-Backbone interact. energy: -0.515
local terms energy: -267.876766
where:
bonds (distance) C4'-P energy: -52.611
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: -80.111
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: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -894.784210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.784210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.784210 (E_RNA)
where:
Base-Base interactions energy: -625.074
where: short stacking energy: -277.849
Base-Backbone interact. energy: -0.470
local terms energy: -269.239742
where:
bonds (distance) C4'-P energy: -49.596
bonds (distance) P-C4' energy: -42.619
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -40.156
tors. eta vs tors. theta energy: -81.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -886.594201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.594201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.594201 (E_RNA)
where:
Base-Base interactions energy: -630.115
where: short stacking energy: -273.854
Base-Backbone interact. energy: -0.317
local terms energy: -256.161834
where:
bonds (distance) C4'-P energy: -45.532
bonds (distance) P-C4' energy: -45.313
flat angles C4'-P-C4' energy: -51.655
flat angles P-C4'-P energy: -32.149
tors. eta vs tors. theta energy: -81.512
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: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -766.826376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.826376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.826376 (E_RNA)
where:
Base-Base interactions energy: -526.878
where: short stacking energy: -215.784
Base-Backbone interact. energy: -1.333
local terms energy: -238.615632
where:
bonds (distance) C4'-P energy: -41.368
bonds (distance) P-C4' energy: -46.459
flat angles C4'-P-C4' energy: -49.726
flat angles P-C4'-P energy: -34.923
tors. eta vs tors. theta energy: -66.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -667.046580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.046580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.046580 (E_RNA)
where:
Base-Base interactions energy: -467.781
where: short stacking energy: -202.056
Base-Backbone interact. energy: 0.845
local terms energy: -200.110543
where:
bonds (distance) C4'-P energy: -36.663
bonds (distance) P-C4' energy: -43.370
flat angles C4'-P-C4' energy: -43.797
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -49.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -705.813756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.813756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.813756 (E_RNA)
where:
Base-Base interactions energy: -480.563
where: short stacking energy: -207.504
Base-Backbone interact. energy: -0.160
local terms energy: -225.090485
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -45.104
flat angles C4'-P-C4' energy: -40.363
flat angles P-C4'-P energy: -41.527
tors. eta vs tors. theta energy: -51.869
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: 434
Temperature: 1.200000
Total energy: -715.008325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.008325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.008325 (E_RNA)
where:
Base-Base interactions energy: -486.239
where: short stacking energy: -211.637
Base-Backbone interact. energy: -0.587
local terms energy: -228.182526
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -44.191
flat angles C4'-P-C4' energy: -49.534
flat angles P-C4'-P energy: -29.521
tors. eta vs tors. theta energy: -66.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -343.415865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.415865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.415865 (E_RNA)
where:
Base-Base interactions energy: -194.295
where: short stacking energy: -101.597
Base-Backbone interact. energy: -0.829
local terms energy: -148.291131
where:
bonds (distance) C4'-P energy: -36.836
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -37.530
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -11.311
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: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -371.528516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.528516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.528516 (E_RNA)
where:
Base-Base interactions energy: -222.552
where: short stacking energy: -110.937
Base-Backbone interact. energy: -0.327
local terms energy: -148.649538
where:
bonds (distance) C4'-P energy: -32.086
bonds (distance) P-C4' energy: -30.959
flat angles C4'-P-C4' energy: -40.418
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -197.431358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.431358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.431358 (E_RNA)
where:
Base-Base interactions energy: -73.688
where: short stacking energy: -65.692
Base-Backbone interact. energy: 1.130
local terms energy: -124.873134
where:
bonds (distance) C4'-P energy: -39.776
bonds (distance) P-C4' energy: -35.632
flat angles C4'-P-C4' energy: -32.272
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -907.883377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.883377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.883377 (E_RNA)
where:
Base-Base interactions energy: -637.640
where: short stacking energy: -269.528
Base-Backbone interact. energy: 0.138
local terms energy: -270.381242
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -54.942
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: -79.660
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: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -894.314882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.314882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.314882 (E_RNA)
where:
Base-Base interactions energy: -629.365
where: short stacking energy: -260.989
Base-Backbone interact. energy: 0.060
local terms energy: -265.009130
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -51.250
flat angles P-C4'-P energy: -43.689
tors. eta vs tors. theta energy: -82.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -872.657568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.657568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.657568 (E_RNA)
where:
Base-Base interactions energy: -620.842
where: short stacking energy: -263.473
Base-Backbone interact. energy: -0.282
local terms energy: -251.534182
where:
bonds (distance) C4'-P energy: -43.349
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -53.093
flat angles P-C4'-P energy: -37.250
tors. eta vs tors. theta energy: -78.462
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: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -770.687440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.687440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.687440 (E_RNA)
where:
Base-Base interactions energy: -555.397
where: short stacking energy: -233.091
Base-Backbone interact. energy: 0.628
local terms energy: -215.917708
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -48.592
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -61.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -700.570253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.570253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.570253 (E_RNA)
where:
Base-Base interactions energy: -482.217
where: short stacking energy: -212.577
Base-Backbone interact. energy: -0.899
local terms energy: -217.453496
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -39.027
flat angles C4'-P-C4' energy: -49.228
flat angles P-C4'-P energy: -30.460
tors. eta vs tors. theta energy: -63.538
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: 435
Temperature: 1.150000
Total energy: -709.214069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.214069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.214069 (E_RNA)
where:
Base-Base interactions energy: -490.973
where: short stacking energy: -207.111
Base-Backbone interact. energy: -1.043
local terms energy: -217.197842
where:
bonds (distance) C4'-P energy: -45.250
bonds (distance) P-C4' energy: -34.379
flat angles C4'-P-C4' energy: -45.181
flat angles P-C4'-P energy: -32.974
tors. eta vs tors. theta energy: -59.414
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: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -692.724010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.724010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.724010 (E_RNA)
where:
Base-Base interactions energy: -479.148
where: short stacking energy: -202.745
Base-Backbone interact. energy: -0.721
local terms energy: -212.854690
where:
bonds (distance) C4'-P energy: -43.467
bonds (distance) P-C4' energy: -33.305
flat angles C4'-P-C4' energy: -53.492
flat angles P-C4'-P energy: -30.181
tors. eta vs tors. theta energy: -52.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -377.454799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.454799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.454799 (E_RNA)
where:
Base-Base interactions energy: -205.501
where: short stacking energy: -113.485
Base-Backbone interact. energy: 1.720
local terms energy: -173.674020
where:
bonds (distance) C4'-P energy: -32.252
bonds (distance) P-C4' energy: -49.852
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -27.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -371.862202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.862202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.862202 (E_RNA)
where:
Base-Base interactions energy: -205.161
where: short stacking energy: -111.023
Base-Backbone interact. energy: -0.918
local terms energy: -165.783056
where:
bonds (distance) C4'-P energy: -41.128
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -238.926359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.926359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.926359 (E_RNA)
where:
Base-Base interactions energy: -112.897
where: short stacking energy: -83.137
Base-Backbone interact. energy: -0.168
local terms energy: -125.861964
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -38.274
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -905.469018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.469018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.469018 (E_RNA)
where:
Base-Base interactions energy: -638.583
where: short stacking energy: -274.860
Base-Backbone interact. energy: -0.002
local terms energy: -266.883881
where:
bonds (distance) C4'-P energy: -39.821
bonds (distance) P-C4' energy: -49.113
flat angles C4'-P-C4' energy: -54.428
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -83.169
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: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -884.769224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.769224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.769224 (E_RNA)
where:
Base-Base interactions energy: -630.077
where: short stacking energy: -267.828
Base-Backbone interact. energy: -0.608
local terms energy: -254.083974
where:
bonds (distance) C4'-P energy: -45.638
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -48.388
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -77.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -874.814150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.814150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.814150 (E_RNA)
where:
Base-Base interactions energy: -621.173
where: short stacking energy: -255.294
Base-Backbone interact. energy: -0.557
local terms energy: -253.084357
where:
bonds (distance) C4'-P energy: -41.341
bonds (distance) P-C4' energy: -36.531
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -81.231
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: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -765.701887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.701887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.701887 (E_RNA)
where:
Base-Base interactions energy: -531.080
where: short stacking energy: -225.571
Base-Backbone interact. energy: -0.199
local terms energy: -234.422310
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -48.597
flat angles C4'-P-C4' energy: -46.409
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -65.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -734.719136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.719136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.719136 (E_RNA)
where:
Base-Base interactions energy: -508.972
where: short stacking energy: -232.632
Base-Backbone interact. energy: -0.309
local terms energy: -225.437997
where:
bonds (distance) C4'-P energy: -31.951
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -41.431
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -73.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -708.865131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.865131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.865131 (E_RNA)
where:
Base-Base interactions energy: -498.831
where: short stacking energy: -199.839
Base-Backbone interact. energy: 0.237
local terms energy: -210.271064
where:
bonds (distance) C4'-P energy: -36.932
bonds (distance) P-C4' energy: -39.921
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -60.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -681.492100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.492100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.492100 (E_RNA)
where:
Base-Base interactions energy: -481.599
where: short stacking energy: -185.804
Base-Backbone interact. energy: -0.698
local terms energy: -199.194963
where:
bonds (distance) C4'-P energy: -40.017
bonds (distance) P-C4' energy: -37.613
flat angles C4'-P-C4' energy: -41.074
flat angles P-C4'-P energy: -28.621
tors. eta vs tors. theta energy: -51.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -364.629223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.629223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.629223 (E_RNA)
where:
Base-Base interactions energy: -209.975
where: short stacking energy: -111.022
Base-Backbone interact. energy: 0.470
local terms energy: -155.124218
where:
bonds (distance) C4'-P energy: -34.713
bonds (distance) P-C4' energy: -44.067
flat angles C4'-P-C4' energy: -39.463
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -360.350909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.350909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.350909 (E_RNA)
where:
Base-Base interactions energy: -205.327
where: short stacking energy: -95.271
Base-Backbone interact. energy: -1.246
local terms energy: -153.778020
where:
bonds (distance) C4'-P energy: -35.682
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -45.077
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -221.436638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.436638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.436638 (E_RNA)
where:
Base-Base interactions energy: -85.002
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.643
local terms energy: -135.791874
where:
bonds (distance) C4'-P energy: -39.401
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -12.703
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: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -917.200955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.200955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.200955 (E_RNA)
where:
Base-Base interactions energy: -644.914
where: short stacking energy: -267.754
Base-Backbone interact. energy: -0.439
local terms energy: -271.847576
where:
bonds (distance) C4'-P energy: -51.779
bonds (distance) P-C4' energy: -42.311
flat angles C4'-P-C4' energy: -56.270
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -82.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -875.954386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.954386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.954386 (E_RNA)
where:
Base-Base interactions energy: -623.116
where: short stacking energy: -262.431
Base-Backbone interact. energy: -1.005
local terms energy: -251.833162
where:
bonds (distance) C4'-P energy: -41.545
bonds (distance) P-C4' energy: -40.087
flat angles C4'-P-C4' energy: -53.526
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -78.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -876.103841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.103841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.103841 (E_RNA)
where:
Base-Base interactions energy: -617.767
where: short stacking energy: -265.183
Base-Backbone interact. energy: 2.072
local terms energy: -260.408746
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -47.188
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -39.067
tors. eta vs tors. theta energy: -83.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -779.057311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.057311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.057311 (E_RNA)
where:
Base-Base interactions energy: -556.913
where: short stacking energy: -235.756
Base-Backbone interact. energy: 0.090
local terms energy: -222.234550
where:
bonds (distance) C4'-P energy: -44.145
bonds (distance) P-C4' energy: -40.617
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -25.117
tors. eta vs tors. theta energy: -63.214
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: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -760.602485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.602485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.602485 (E_RNA)
where:
Base-Base interactions energy: -520.200
where: short stacking energy: -224.364
Base-Backbone interact. energy: -0.948
local terms energy: -239.454094
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -54.627
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -71.976
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: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -695.409266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.409266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.409266 (E_RNA)
where:
Base-Base interactions energy: -475.252
where: short stacking energy: -184.966
Base-Backbone interact. energy: -0.455
local terms energy: -219.702985
where:
bonds (distance) C4'-P energy: -44.034
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -54.823
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: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -673.024298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.024298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.024298 (E_RNA)
where:
Base-Base interactions energy: -462.161
where: short stacking energy: -191.444
Base-Backbone interact. energy: -0.471
local terms energy: -210.391898
where:
bonds (distance) C4'-P energy: -43.121
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -43.622
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -56.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -361.860719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.860719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.860719 (E_RNA)
where:
Base-Base interactions energy: -226.601
where: short stacking energy: -111.325
Base-Backbone interact. energy: -1.593
local terms energy: -133.666430
where:
bonds (distance) C4'-P energy: -33.758
bonds (distance) P-C4' energy: -34.184
flat angles C4'-P-C4' energy: -27.938
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -382.829076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.829076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.829076 (E_RNA)
where:
Base-Base interactions energy: -208.460
where: short stacking energy: -115.970
Base-Backbone interact. energy: -0.486
local terms energy: -173.883160
where:
bonds (distance) C4'-P energy: -48.681
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -37.324
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -21.840
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: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -209.467050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.467050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.467050 (E_RNA)
where:
Base-Base interactions energy: -84.443
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.332
local terms energy: -124.692664
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -930.257051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.257051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.257051 (E_RNA)
where:
Base-Base interactions energy: -664.120
where: short stacking energy: -281.122
Base-Backbone interact. energy: -0.073
local terms energy: -266.063550
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -45.494
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -39.866
tors. eta vs tors. theta energy: -81.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -889.602288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.602288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.602288 (E_RNA)
where:
Base-Base interactions energy: -642.966
where: short stacking energy: -265.970
Base-Backbone interact. energy: -0.711
local terms energy: -245.925306
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -52.282
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -86.488
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: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -881.614937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.614937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.614937 (E_RNA)
where:
Base-Base interactions energy: -622.347
where: short stacking energy: -260.154
Base-Backbone interact. energy: -0.098
local terms energy: -259.170135
where:
bonds (distance) C4'-P energy: -40.928
bonds (distance) P-C4' energy: -47.551
flat angles C4'-P-C4' energy: -53.898
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -82.690
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: 10
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -770.184961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.184961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.184961 (E_RNA)
where:
Base-Base interactions energy: -534.937
where: short stacking energy: -226.334
Base-Backbone interact. energy: -0.462
local terms energy: -234.786243
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -37.185
tors. eta vs tors. theta energy: -70.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -730.144097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.144097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.144097 (E_RNA)
where:
Base-Base interactions energy: -510.362
where: short stacking energy: -226.288
Base-Backbone interact. energy: 0.407
local terms energy: -220.188876
where:
bonds (distance) C4'-P energy: -35.163
bonds (distance) P-C4' energy: -43.627
flat angles C4'-P-C4' energy: -46.155
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: -67.193
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: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -707.827155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.827155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.827155 (E_RNA)
where:
Base-Base interactions energy: -487.140
where: short stacking energy: -187.104
Base-Backbone interact. energy: -0.229
local terms energy: -220.458084
where:
bonds (distance) C4'-P energy: -39.908
bonds (distance) P-C4' energy: -54.213
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -34.963
tors. eta vs tors. theta energy: -48.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -694.807274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.807274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.807274 (E_RNA)
where:
Base-Base interactions energy: -483.063
where: short stacking energy: -210.886
Base-Backbone interact. energy: -0.447
local terms energy: -211.296990
where:
bonds (distance) C4'-P energy: -32.558
bonds (distance) P-C4' energy: -42.270
flat angles C4'-P-C4' energy: -50.058
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -56.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -395.542493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.542493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.542493 (E_RNA)
where:
Base-Base interactions energy: -230.199
where: short stacking energy: -97.820
Base-Backbone interact. energy: -2.435
local terms energy: -162.908259
where:
bonds (distance) C4'-P energy: -36.864
bonds (distance) P-C4' energy: -50.824
flat angles C4'-P-C4' energy: -37.835
flat angles P-C4'-P energy: -22.594
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -365.145745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.145745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.145745 (E_RNA)
where:
Base-Base interactions energy: -211.896
where: short stacking energy: -110.925
Base-Backbone interact. energy: -0.353
local terms energy: -152.896685
where:
bonds (distance) C4'-P energy: -37.151
bonds (distance) P-C4' energy: -42.113
flat angles C4'-P-C4' energy: -35.100
flat angles P-C4'-P energy: -20.739
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: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -198.690146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.690146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.690146 (E_RNA)
where:
Base-Base interactions energy: -79.488
where: short stacking energy: -55.701
Base-Backbone interact. energy: 0.801
local terms energy: -120.003131
where:
bonds (distance) C4'-P energy: -43.954
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: 5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -904.433663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.433663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.433663 (E_RNA)
where:
Base-Base interactions energy: -634.914
where: short stacking energy: -259.097
Base-Backbone interact. energy: -1.575
local terms energy: -267.945574
where:
bonds (distance) C4'-P energy: -41.796
bonds (distance) P-C4' energy: -52.835
flat angles C4'-P-C4' energy: -53.489
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -83.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -896.426739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.426739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.426739 (E_RNA)
where:
Base-Base interactions energy: -633.079
where: short stacking energy: -272.227
Base-Backbone interact. energy: -0.044
local terms energy: -263.303217
where:
bonds (distance) C4'-P energy: -39.941
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -52.590
flat angles P-C4'-P energy: -37.923
tors. eta vs tors. theta energy: -84.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -863.890181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.890181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.890181 (E_RNA)
where:
Base-Base interactions energy: -609.382
where: short stacking energy: -254.802
Base-Backbone interact. energy: -0.261
local terms energy: -254.246771
where:
bonds (distance) C4'-P energy: -49.961
bonds (distance) P-C4' energy: -38.568
flat angles C4'-P-C4' energy: -50.405
flat angles P-C4'-P energy: -35.688
tors. eta vs tors. theta energy: -79.626
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: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -762.832499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.832499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.832499 (E_RNA)
where:
Base-Base interactions energy: -519.647
where: short stacking energy: -228.564
Base-Backbone interact. energy: -0.109
local terms energy: -243.076604
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -39.757
flat angles C4'-P-C4' energy: -49.897
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -72.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -740.588821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.588821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.588821 (E_RNA)
where:
Base-Base interactions energy: -525.802
where: short stacking energy: -213.991
Base-Backbone interact. energy: -0.789
local terms energy: -213.997146
where:
bonds (distance) C4'-P energy: -43.167
bonds (distance) P-C4' energy: -24.226
flat angles C4'-P-C4' energy: -51.684
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -69.259
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: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -714.382538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.382538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.382538 (E_RNA)
where:
Base-Base interactions energy: -501.917
where: short stacking energy: -216.239
Base-Backbone interact. energy: -0.332
local terms energy: -212.134142
where:
bonds (distance) C4'-P energy: -37.446
bonds (distance) P-C4' energy: -42.169
flat angles C4'-P-C4' energy: -38.261
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -64.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -668.560720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.560720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.560720 (E_RNA)
where:
Base-Base interactions energy: -469.250
where: short stacking energy: -204.517
Base-Backbone interact. energy: 0.686
local terms energy: -199.996655
where:
bonds (distance) C4'-P energy: -34.274
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -48.132
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -55.822
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: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -372.464490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.464490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.464490 (E_RNA)
where:
Base-Base interactions energy: -216.200
where: short stacking energy: -119.574
Base-Backbone interact. energy: -0.538
local terms energy: -155.726910
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -47.106
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -360.289223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.289223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.289223 (E_RNA)
where:
Base-Base interactions energy: -211.384
where: short stacking energy: -100.714
Base-Backbone interact. energy: -0.136
local terms energy: -148.768627
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -44.926
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -187.604964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.604964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.604964 (E_RNA)
where:
Base-Base interactions energy: -73.302
where: short stacking energy: -62.345
Base-Backbone interact. energy: 0.281
local terms energy: -114.584275
where:
bonds (distance) C4'-P energy: -43.335
bonds (distance) P-C4' energy: -38.621
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: 18.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -908.375623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.375623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.375623 (E_RNA)
where:
Base-Base interactions energy: -633.489
where: short stacking energy: -270.290
Base-Backbone interact. energy: 0.461
local terms energy: -275.347643
where:
bonds (distance) C4'-P energy: -47.365
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -52.329
flat angles P-C4'-P energy: -39.113
tors. eta vs tors. theta energy: -87.139
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: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -886.568099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.568099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.568099 (E_RNA)
where:
Base-Base interactions energy: -625.431
where: short stacking energy: -258.063
Base-Backbone interact. energy: -0.611
local terms energy: -260.525438
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -40.307
flat angles C4'-P-C4' energy: -57.715
flat angles P-C4'-P energy: -39.154
tors. eta vs tors. theta energy: -76.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -851.128426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.128426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.128426 (E_RNA)
where:
Base-Base interactions energy: -603.811
where: short stacking energy: -243.404
Base-Backbone interact. energy: -0.135
local terms energy: -247.183166
where:
bonds (distance) C4'-P energy: -39.823
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -37.834
tors. eta vs tors. theta energy: -74.461
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: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -730.613924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.613924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.613924 (E_RNA)
where:
Base-Base interactions energy: -498.392
where: short stacking energy: -218.066
Base-Backbone interact. energy: -0.075
local terms energy: -232.147427
where:
bonds (distance) C4'-P energy: -41.061
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -48.024
flat angles P-C4'-P energy: -39.159
tors. eta vs tors. theta energy: -64.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -720.371369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.371369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.371369 (E_RNA)
where:
Base-Base interactions energy: -499.806
where: short stacking energy: -201.195
Base-Backbone interact. energy: 0.963
local terms energy: -221.528763
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -41.446
flat angles P-C4'-P energy: -28.344
tors. eta vs tors. theta energy: -58.933
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: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -693.961167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.961167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.961167 (E_RNA)
where:
Base-Base interactions energy: -482.658
where: short stacking energy: -205.607
Base-Backbone interact. energy: 0.113
local terms energy: -211.416345
where:
bonds (distance) C4'-P energy: -46.637
bonds (distance) P-C4' energy: -36.031
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -25.478
tors. eta vs tors. theta energy: -60.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -622.990280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.990280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.990280 (E_RNA)
where:
Base-Base interactions energy: -419.157
where: short stacking energy: -194.942
Base-Backbone interact. energy: 0.657
local terms energy: -204.489754
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -37.033
flat angles C4'-P-C4' energy: -40.676
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -56.849
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: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -348.292749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.292749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.292749 (E_RNA)
where:
Base-Base interactions energy: -201.641
where: short stacking energy: -112.108
Base-Backbone interact. energy: -0.232
local terms energy: -146.419317
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -42.029
flat angles C4'-P-C4' energy: -43.631
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -334.342119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.342119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.342119 (E_RNA)
where:
Base-Base interactions energy: -187.894
where: short stacking energy: -91.031
Base-Backbone interact. energy: -0.971
local terms energy: -145.477130
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -39.312
flat angles C4'-P-C4' energy: -30.445
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -17.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -187.019095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.019095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.019095 (E_RNA)
where:
Base-Base interactions energy: -61.156
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.208
local terms energy: -125.654853
where:
bonds (distance) C4'-P energy: -38.128
bonds (distance) P-C4' energy: -40.645
flat angles C4'-P-C4' energy: -32.712
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: 3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -914.662682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.662682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.662682 (E_RNA)
where:
Base-Base interactions energy: -643.333
where: short stacking energy: -275.417
Base-Backbone interact. energy: -0.604
local terms energy: -270.725863
where:
bonds (distance) C4'-P energy: -42.919
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -58.300
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -86.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -896.044999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.044999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.044999 (E_RNA)
where:
Base-Base interactions energy: -632.654
where: short stacking energy: -265.675
Base-Backbone interact. energy: -0.006
local terms energy: -263.385091
where:
bonds (distance) C4'-P energy: -49.335
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -47.335
flat angles P-C4'-P energy: -37.805
tors. eta vs tors. theta energy: -78.418
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: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -839.337304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.337304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.337304 (E_RNA)
where:
Base-Base interactions energy: -607.349
where: short stacking energy: -243.362
Base-Backbone interact. energy: -0.754
local terms energy: -231.234469
where:
bonds (distance) C4'-P energy: -37.271
bonds (distance) P-C4' energy: -41.240
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -29.905
tors. eta vs tors. theta energy: -75.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -734.131311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.131311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.131311 (E_RNA)
where:
Base-Base interactions energy: -512.258
where: short stacking energy: -233.332
Base-Backbone interact. energy: -0.033
local terms energy: -221.839429
where:
bonds (distance) C4'-P energy: -28.576
bonds (distance) P-C4' energy: -36.236
flat angles C4'-P-C4' energy: -49.581
flat angles P-C4'-P energy: -36.356
tors. eta vs tors. theta energy: -71.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -717.177062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.177062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.177062 (E_RNA)
where:
Base-Base interactions energy: -503.661
where: short stacking energy: -212.226
Base-Backbone interact. energy: -0.058
local terms energy: -213.458354
where:
bonds (distance) C4'-P energy: -35.600
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -51.559
flat angles P-C4'-P energy: -32.026
tors. eta vs tors. theta energy: -54.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -727.037180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.037180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.037180 (E_RNA)
where:
Base-Base interactions energy: -497.717
where: short stacking energy: -224.040
Base-Backbone interact. energy: -0.538
local terms energy: -228.782498
where:
bonds (distance) C4'-P energy: -35.207
bonds (distance) P-C4' energy: -45.887
flat angles C4'-P-C4' energy: -47.234
flat angles P-C4'-P energy: -36.058
tors. eta vs tors. theta energy: -64.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -602.191863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.191863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.191863 (E_RNA)
where:
Base-Base interactions energy: -394.101
where: short stacking energy: -175.470
Base-Backbone interact. energy: -0.468
local terms energy: -207.623093
where:
bonds (distance) C4'-P energy: -41.870
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -47.253
flat angles P-C4'-P energy: -28.115
tors. eta vs tors. theta energy: -46.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -365.609627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.609627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.609627 (E_RNA)
where:
Base-Base interactions energy: -208.724
where: short stacking energy: -107.956
Base-Backbone interact. energy: 0.435
local terms energy: -157.321264
where:
bonds (distance) C4'-P energy: -47.585
bonds (distance) P-C4' energy: -39.974
flat angles C4'-P-C4' energy: -37.290
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -363.310815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.310815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.310815 (E_RNA)
where:
Base-Base interactions energy: -206.228
where: short stacking energy: -111.409
Base-Backbone interact. energy: -0.963
local terms energy: -156.120567
where:
bonds (distance) C4'-P energy: -42.712
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -42.397
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -183.187991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.187991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.187991 (E_RNA)
where:
Base-Base interactions energy: -54.968
where: short stacking energy: -49.523
Base-Backbone interact. energy: -1.025
local terms energy: -127.194653
where:
bonds (distance) C4'-P energy: -34.994
bonds (distance) P-C4' energy: -40.489
flat angles C4'-P-C4' energy: -37.841
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -896.347860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.347860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.347860 (E_RNA)
where:
Base-Base interactions energy: -634.442
where: short stacking energy: -267.766
Base-Backbone interact. energy: -1.729
local terms energy: -260.176794
where:
bonds (distance) C4'-P energy: -43.319
bonds (distance) P-C4' energy: -52.337
flat angles C4'-P-C4' energy: -51.648
flat angles P-C4'-P energy: -33.623
tors. eta vs tors. theta energy: -79.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -896.565344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.565344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.565344 (E_RNA)
where:
Base-Base interactions energy: -625.597
where: short stacking energy: -272.031
Base-Backbone interact. energy: -0.406
local terms energy: -270.562073
where:
bonds (distance) C4'-P energy: -48.625
bonds (distance) P-C4' energy: -46.596
flat angles C4'-P-C4' energy: -55.710
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -83.172
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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -839.594784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.594784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.594784 (E_RNA)
where:
Base-Base interactions energy: -605.406
where: short stacking energy: -259.037
Base-Backbone interact. energy: 0.885
local terms energy: -235.073417
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -35.162
flat angles C4'-P-C4' energy: -50.792
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -81.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -756.992910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.992910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.992910 (E_RNA)
where:
Base-Base interactions energy: -519.592
where: short stacking energy: -223.001
Base-Backbone interact. energy: -0.605
local terms energy: -236.795257
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -43.501
flat angles P-C4'-P energy: -29.065
tors. eta vs tors. theta energy: -69.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -727.544187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.544187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.544187 (E_RNA)
where:
Base-Base interactions energy: -514.591
where: short stacking energy: -219.339
Base-Backbone interact. energy: -0.230
local terms energy: -212.722966
where:
bonds (distance) C4'-P energy: -35.004
bonds (distance) P-C4' energy: -31.406
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -59.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -717.021115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.021115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.021115 (E_RNA)
where:
Base-Base interactions energy: -495.970
where: short stacking energy: -205.212
Base-Backbone interact. energy: -0.087
local terms energy: -220.963907
where:
bonds (distance) C4'-P energy: -45.037
bonds (distance) P-C4' energy: -41.772
flat angles C4'-P-C4' energy: -49.799
flat angles P-C4'-P energy: -33.596
tors. eta vs tors. theta energy: -50.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -548.415388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.415388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.415388 (E_RNA)
where:
Base-Base interactions energy: -355.883
where: short stacking energy: -139.104
Base-Backbone interact. energy: -0.367
local terms energy: -192.165246
where:
bonds (distance) C4'-P energy: -38.583
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -47.491
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -40.788
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: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -385.716759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.716759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.716759 (E_RNA)
where:
Base-Base interactions energy: -233.730
where: short stacking energy: -112.790
Base-Backbone interact. energy: -2.428
local terms energy: -149.558268
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -35.143
flat angles P-C4'-P energy: -27.972
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: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -332.409717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.409717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.409717 (E_RNA)
where:
Base-Base interactions energy: -183.658
where: short stacking energy: -86.675
Base-Backbone interact. energy: -1.174
local terms energy: -147.577101
where:
bonds (distance) C4'-P energy: -44.301
bonds (distance) P-C4' energy: -42.486
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -6.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -187.766297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.766297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.766297 (E_RNA)
where:
Base-Base interactions energy: -61.784
where: short stacking energy: -61.587
Base-Backbone interact. energy: 2.610
local terms energy: -128.592790
where:
bonds (distance) C4'-P energy: -35.853
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -42.148
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: 2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -899.295305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.295305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.295305 (E_RNA)
where:
Base-Base interactions energy: -633.280
where: short stacking energy: -272.462
Base-Backbone interact. energy: -1.452
local terms energy: -264.563527
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -55.589
flat angles P-C4'-P energy: -37.330
tors. eta vs tors. theta energy: -80.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -894.751219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.751219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.751219 (E_RNA)
where:
Base-Base interactions energy: -635.265
where: short stacking energy: -262.288
Base-Backbone interact. energy: -0.030
local terms energy: -259.455785
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -53.577
flat angles P-C4'-P energy: -37.288
tors. eta vs tors. theta energy: -82.284
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: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -876.513033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.513033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.513033 (E_RNA)
where:
Base-Base interactions energy: -611.982
where: short stacking energy: -254.286
Base-Backbone interact. energy: -0.870
local terms energy: -263.661224
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -47.913
flat angles C4'-P-C4' energy: -56.200
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -74.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -753.040040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.040040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.040040 (E_RNA)
where:
Base-Base interactions energy: -520.540
where: short stacking energy: -217.711
Base-Backbone interact. energy: 0.968
local terms energy: -233.467822
where:
bonds (distance) C4'-P energy: -37.415
bonds (distance) P-C4' energy: -45.283
flat angles C4'-P-C4' energy: -51.475
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -64.251
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: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -723.169178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.169178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.169178 (E_RNA)
where:
Base-Base interactions energy: -489.752
where: short stacking energy: -198.905
Base-Backbone interact. energy: -0.360
local terms energy: -233.056782
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -46.848
flat angles C4'-P-C4' energy: -48.683
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -66.660
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: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -719.963527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.963527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.963527 (E_RNA)
where:
Base-Base interactions energy: -516.839
where: short stacking energy: -218.075
Base-Backbone interact. energy: -0.375
local terms energy: -202.749758
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -37.980
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -28.394
tors. eta vs tors. theta energy: -62.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -536.533635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.533635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.533635 (E_RNA)
where:
Base-Base interactions energy: -342.957
where: short stacking energy: -168.008
Base-Backbone interact. energy: 0.464
local terms energy: -194.041237
where:
bonds (distance) C4'-P energy: -34.605
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -46.950
flat angles P-C4'-P energy: -30.003
tors. eta vs tors. theta energy: -42.614
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: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -369.608137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.608137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.608137 (E_RNA)
where:
Base-Base interactions energy: -210.672
where: short stacking energy: -112.503
Base-Backbone interact. energy: -1.202
local terms energy: -157.734722
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -341.886280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.886280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.886280 (E_RNA)
where:
Base-Base interactions energy: -215.116
where: short stacking energy: -99.397
Base-Backbone interact. energy: 2.337
local terms energy: -129.107921
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -31.320
flat angles C4'-P-C4' energy: -28.288
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -5.613
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: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -203.295991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.295991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.295991 (E_RNA)
where:
Base-Base interactions energy: -91.365
where: short stacking energy: -64.474
Base-Backbone interact. energy: 0.729
local terms energy: -112.660504
where:
bonds (distance) C4'-P energy: -29.012
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: 1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -913.421185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.421185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.421185 (E_RNA)
where:
Base-Base interactions energy: -644.605
where: short stacking energy: -266.457
Base-Backbone interact. energy: -0.296
local terms energy: -268.519892
where:
bonds (distance) C4'-P energy: -50.125
bonds (distance) P-C4' energy: -45.991
flat angles C4'-P-C4' energy: -53.357
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -83.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -898.645354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.645354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.645354 (E_RNA)
where:
Base-Base interactions energy: -630.593
where: short stacking energy: -264.950
Base-Backbone interact. energy: -0.837
local terms energy: -267.215060
where:
bonds (distance) C4'-P energy: -48.923
bonds (distance) P-C4' energy: -51.076
flat angles C4'-P-C4' energy: -47.739
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: -82.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -875.342630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.342630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.342630 (E_RNA)
where:
Base-Base interactions energy: -621.485
where: short stacking energy: -254.098
Base-Backbone interact. energy: -0.017
local terms energy: -253.841349
where:
bonds (distance) C4'-P energy: -45.766
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -48.672
flat angles P-C4'-P energy: -34.043
tors. eta vs tors. theta energy: -79.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -749.883567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.883567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.883567 (E_RNA)
where:
Base-Base interactions energy: -520.990
where: short stacking energy: -218.470
Base-Backbone interact. energy: -0.644
local terms energy: -228.249308
where:
bonds (distance) C4'-P energy: -37.574
bonds (distance) P-C4' energy: -44.996
flat angles C4'-P-C4' energy: -46.788
flat angles P-C4'-P energy: -35.185
tors. eta vs tors. theta energy: -63.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -726.640551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.640551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.640551 (E_RNA)
where:
Base-Base interactions energy: -498.940
where: short stacking energy: -208.817
Base-Backbone interact. energy: 0.112
local terms energy: -227.811895
where:
bonds (distance) C4'-P energy: -44.792
bonds (distance) P-C4' energy: -44.152
flat angles C4'-P-C4' energy: -46.050
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -60.498
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: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -694.630863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.630863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.630863 (E_RNA)
where:
Base-Base interactions energy: -473.988
where: short stacking energy: -207.794
Base-Backbone interact. energy: 0.942
local terms energy: -221.584034
where:
bonds (distance) C4'-P energy: -36.394
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -49.588
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -62.843
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: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -517.292874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.292874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.292874 (E_RNA)
where:
Base-Base interactions energy: -340.107
where: short stacking energy: -156.122
Base-Backbone interact. energy: -0.558
local terms energy: -176.628101
where:
bonds (distance) C4'-P energy: -29.407
bonds (distance) P-C4' energy: -35.287
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -27.149
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -337.584397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.584397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.584397 (E_RNA)
where:
Base-Base interactions energy: -185.667
where: short stacking energy: -98.619
Base-Backbone interact. energy: 1.735
local terms energy: -153.652218
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -47.037
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -356.322683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.322683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.322683 (E_RNA)
where:
Base-Base interactions energy: -218.606
where: short stacking energy: -102.395
Base-Backbone interact. energy: 0.255
local terms energy: -137.970921
where:
bonds (distance) C4'-P energy: -35.614
bonds (distance) P-C4' energy: -29.221
flat angles C4'-P-C4' energy: -32.302
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -206.459510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.459510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.459510 (E_RNA)
where:
Base-Base interactions energy: -70.811
where: short stacking energy: -62.480
Base-Backbone interact. energy: 1.488
local terms energy: -137.136276
where:
bonds (distance) C4'-P energy: -38.577
bonds (distance) P-C4' energy: -42.332
flat angles C4'-P-C4' energy: -37.247
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -918.750424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.750424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.750424 (E_RNA)
where:
Base-Base interactions energy: -656.721
where: short stacking energy: -271.709
Base-Backbone interact. energy: -0.444
local terms energy: -261.585353
where:
bonds (distance) C4'-P energy: -43.132
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -37.043
tors. eta vs tors. theta energy: -84.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -877.489009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.489009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.489009 (E_RNA)
where:
Base-Base interactions energy: -619.305
where: short stacking energy: -259.250
Base-Backbone interact. energy: 1.170
local terms energy: -259.354019
where:
bonds (distance) C4'-P energy: -46.909
bonds (distance) P-C4' energy: -44.311
flat angles C4'-P-C4' energy: -50.516
flat angles P-C4'-P energy: -37.259
tors. eta vs tors. theta energy: -80.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -879.516683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.516683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.516683 (E_RNA)
where:
Base-Base interactions energy: -641.192
where: short stacking energy: -268.549
Base-Backbone interact. energy: -0.098
local terms energy: -238.227134
where:
bonds (distance) C4'-P energy: -32.397
bonds (distance) P-C4' energy: -41.422
flat angles C4'-P-C4' energy: -48.896
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -79.786
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: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -760.039154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.039154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.039154 (E_RNA)
where:
Base-Base interactions energy: -530.993
where: short stacking energy: -216.191
Base-Backbone interact. energy: -0.918
local terms energy: -228.128607
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -29.096
tors. eta vs tors. theta energy: -67.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -701.114455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.114455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.114455 (E_RNA)
where:
Base-Base interactions energy: -494.493
where: short stacking energy: -210.903
Base-Backbone interact. energy: -0.498
local terms energy: -206.123745
where:
bonds (distance) C4'-P energy: -38.485
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -39.163
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -60.441
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: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -674.064535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.064535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.064535 (E_RNA)
where:
Base-Base interactions energy: -456.325
where: short stacking energy: -186.958
Base-Backbone interact. energy: -0.494
local terms energy: -217.245566
where:
bonds (distance) C4'-P energy: -41.244
bonds (distance) P-C4' energy: -44.092
flat angles C4'-P-C4' energy: -51.536
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -47.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -509.447770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.447770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.447770 (E_RNA)
where:
Base-Base interactions energy: -324.693
where: short stacking energy: -156.460
Base-Backbone interact. energy: -1.192
local terms energy: -183.562747
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -42.180
flat angles P-C4'-P energy: -29.221
tors. eta vs tors. theta energy: -36.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -361.532189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.532189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.532189 (E_RNA)
where:
Base-Base interactions energy: -199.687
where: short stacking energy: -102.200
Base-Backbone interact. energy: -0.897
local terms energy: -160.948068
where:
bonds (distance) C4'-P energy: -37.327
bonds (distance) P-C4' energy: -34.427
flat angles C4'-P-C4' energy: -46.278
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -283.387857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.387857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.387857 (E_RNA)
where:
Base-Base interactions energy: -141.110
where: short stacking energy: -79.524
Base-Backbone interact. energy: 1.442
local terms energy: -143.719948
where:
bonds (distance) C4'-P energy: -40.780
bonds (distance) P-C4' energy: -41.649
flat angles C4'-P-C4' energy: -40.145
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -9.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -183.941770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.941770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.941770 (E_RNA)
where:
Base-Base interactions energy: -64.823
where: short stacking energy: -61.599
Base-Backbone interact. energy: -0.415
local terms energy: -118.704264
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: 4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -894.887963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.887963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.887963 (E_RNA)
where:
Base-Base interactions energy: -638.095
where: short stacking energy: -266.592
Base-Backbone interact. energy: -0.049
local terms energy: -256.744536
where:
bonds (distance) C4'-P energy: -36.820
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -51.311
flat angles P-C4'-P energy: -38.965
tors. eta vs tors. theta energy: -80.612
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: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -884.628246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.628246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.628246 (E_RNA)
where:
Base-Base interactions energy: -632.703
where: short stacking energy: -270.859
Base-Backbone interact. energy: -0.092
local terms energy: -251.832857
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -52.163
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -76.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -883.617154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.617154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.617154 (E_RNA)
where:
Base-Base interactions energy: -621.748
where: short stacking energy: -252.618
Base-Backbone interact. energy: -0.063
local terms energy: -261.806130
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -58.367
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -80.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -772.435151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.435151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.435151 (E_RNA)
where:
Base-Base interactions energy: -530.572
where: short stacking energy: -223.118
Base-Backbone interact. energy: 0.317
local terms energy: -242.180678
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -44.164
flat angles C4'-P-C4' energy: -49.611
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -69.061
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: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -726.945826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.945826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.945826 (E_RNA)
where:
Base-Base interactions energy: -495.028
where: short stacking energy: -208.504
Base-Backbone interact. energy: -0.609
local terms energy: -231.308707
where:
bonds (distance) C4'-P energy: -39.765
bonds (distance) P-C4' energy: -46.444
flat angles C4'-P-C4' energy: -47.021
flat angles P-C4'-P energy: -36.801
tors. eta vs tors. theta energy: -61.278
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: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -706.136438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.136438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.136438 (E_RNA)
where:
Base-Base interactions energy: -511.744
where: short stacking energy: -203.323
Base-Backbone interact. energy: -0.342
local terms energy: -194.050553
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -49.128
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -57.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -531.843637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.843637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.843637 (E_RNA)
where:
Base-Base interactions energy: -352.032
where: short stacking energy: -167.173
Base-Backbone interact. energy: -1.644
local terms energy: -178.167722
where:
bonds (distance) C4'-P energy: -34.141
bonds (distance) P-C4' energy: -40.068
flat angles C4'-P-C4' energy: -40.129
flat angles P-C4'-P energy: -26.745
tors. eta vs tors. theta energy: -37.084
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: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -366.641175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.641175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.641175 (E_RNA)
where:
Base-Base interactions energy: -212.077
where: short stacking energy: -107.738
Base-Backbone interact. energy: -0.541
local terms energy: -154.022420
where:
bonds (distance) C4'-P energy: -35.760
bonds (distance) P-C4' energy: -41.715
flat angles C4'-P-C4' energy: -41.531
flat angles P-C4'-P energy: -21.916
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -234.007692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.007692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.007692 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -82.588
Base-Backbone interact. energy: -1.201
local terms energy: -140.585423
where:
bonds (distance) C4'-P energy: -38.642
bonds (distance) P-C4' energy: -42.946
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -222.376788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.376788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.376788 (E_RNA)
where:
Base-Base interactions energy: -77.238
where: short stacking energy: -73.205
Base-Backbone interact. energy: 1.057
local terms energy: -146.195563
where:
bonds (distance) C4'-P energy: -43.315
bonds (distance) P-C4' energy: -46.842
flat angles C4'-P-C4' energy: -35.259
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -908.775667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.775667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.775667 (E_RNA)
where:
Base-Base interactions energy: -637.797
where: short stacking energy: -275.119
Base-Backbone interact. energy: -0.020
local terms energy: -270.958825
where:
bonds (distance) C4'-P energy: -45.729
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -35.530
tors. eta vs tors. theta energy: -85.889
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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -901.777840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.777840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.777840 (E_RNA)
where:
Base-Base interactions energy: -619.608
where: short stacking energy: -272.921
Base-Backbone interact. energy: -0.084
local terms energy: -282.086092
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -50.447
flat angles C4'-P-C4' energy: -57.432
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -85.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -872.392257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.392257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.392257 (E_RNA)
where:
Base-Base interactions energy: -625.559
where: short stacking energy: -263.094
Base-Backbone interact. energy: -0.202
local terms energy: -246.631685
where:
bonds (distance) C4'-P energy: -40.796
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -53.040
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -78.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -772.654504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.654504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.654504 (E_RNA)
where:
Base-Base interactions energy: -528.698
where: short stacking energy: -233.728
Base-Backbone interact. energy: -0.995
local terms energy: -242.961455
where:
bonds (distance) C4'-P energy: -33.944
bonds (distance) P-C4' energy: -42.558
flat angles C4'-P-C4' energy: -55.899
flat angles P-C4'-P energy: -37.501
tors. eta vs tors. theta energy: -73.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -729.870692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.870692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.870692 (E_RNA)
where:
Base-Base interactions energy: -497.745
where: short stacking energy: -220.199
Base-Backbone interact. energy: -0.138
local terms energy: -231.987971
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -48.716
flat angles P-C4'-P energy: -39.790
tors. eta vs tors. theta energy: -66.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -694.077951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.077951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.077951 (E_RNA)
where:
Base-Base interactions energy: -478.127
where: short stacking energy: -201.595
Base-Backbone interact. energy: 0.819
local terms energy: -216.769729
where:
bonds (distance) C4'-P energy: -37.477
bonds (distance) P-C4' energy: -44.097
flat angles C4'-P-C4' energy: -46.721
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -55.791
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: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -578.519842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.519842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.519842 (E_RNA)
where:
Base-Base interactions energy: -401.127
where: short stacking energy: -186.469
Base-Backbone interact. energy: 1.471
local terms energy: -178.864229
where:
bonds (distance) C4'-P energy: -24.757
bonds (distance) P-C4' energy: -38.962
flat angles C4'-P-C4' energy: -40.101
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: -48.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -344.392597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.392597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.392597 (E_RNA)
where:
Base-Base interactions energy: -193.346
where: short stacking energy: -95.027
Base-Backbone interact. energy: -0.898
local terms energy: -150.148527
where:
bonds (distance) C4'-P energy: -41.996
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -38.026
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -276.115508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.115508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.115508 (E_RNA)
where:
Base-Base interactions energy: -146.208
where: short stacking energy: -87.804
Base-Backbone interact. energy: 4.671
local terms energy: -134.578330
where:
bonds (distance) C4'-P energy: -33.186
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -37.096
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -223.368579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.368579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.368579 (E_RNA)
where:
Base-Base interactions energy: -98.229
where: short stacking energy: -86.842
Base-Backbone interact. energy: 2.725
local terms energy: -127.864534
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -32.617
flat angles C4'-P-C4' energy: -39.478
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -899.617723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.617723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.617723 (E_RNA)
where:
Base-Base interactions energy: -634.978
where: short stacking energy: -268.642
Base-Backbone interact. energy: 0.941
local terms energy: -265.580889
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -52.231
flat angles C4'-P-C4' energy: -49.314
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -82.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -892.243038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.243038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.243038 (E_RNA)
where:
Base-Base interactions energy: -636.959
where: short stacking energy: -262.032
Base-Backbone interact. energy: -0.059
local terms energy: -255.224560
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -38.840
flat angles C4'-P-C4' energy: -53.275
flat angles P-C4'-P energy: -42.204
tors. eta vs tors. theta energy: -78.846
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: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -885.130016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.130016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.130016 (E_RNA)
where:
Base-Base interactions energy: -620.773
where: short stacking energy: -264.621
Base-Backbone interact. energy: 0.571
local terms energy: -264.928452
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -48.457
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -33.137
tors. eta vs tors. theta energy: -82.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -762.288105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.288105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.288105 (E_RNA)
where:
Base-Base interactions energy: -538.112
where: short stacking energy: -221.292
Base-Backbone interact. energy: 0.893
local terms energy: -225.069700
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -40.057
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -69.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -710.305686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.305686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.305686 (E_RNA)
where:
Base-Base interactions energy: -485.977
where: short stacking energy: -200.060
Base-Backbone interact. energy: -0.295
local terms energy: -224.033312
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -48.988
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -60.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -707.412533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.412533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.412533 (E_RNA)
where:
Base-Base interactions energy: -484.755
where: short stacking energy: -211.849
Base-Backbone interact. energy: -0.487
local terms energy: -222.171457
where:
bonds (distance) C4'-P energy: -41.162
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -44.938
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: -67.220
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: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -530.096944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.096944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.096944 (E_RNA)
where:
Base-Base interactions energy: -338.671
where: short stacking energy: -155.367
Base-Backbone interact. energy: -0.065
local terms energy: -191.360681
where:
bonds (distance) C4'-P energy: -40.988
bonds (distance) P-C4' energy: -37.806
flat angles C4'-P-C4' energy: -47.135
flat angles P-C4'-P energy: -29.657
tors. eta vs tors. theta energy: -35.774
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: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -341.440640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.440640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.440640 (E_RNA)
where:
Base-Base interactions energy: -173.739
where: short stacking energy: -101.918
Base-Backbone interact. energy: -0.495
local terms energy: -167.206810
where:
bonds (distance) C4'-P energy: -43.448
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -38.647
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -230.658739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.658739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.658739 (E_RNA)
where:
Base-Base interactions energy: -83.472
where: short stacking energy: -66.506
Base-Backbone interact. energy: -0.376
local terms energy: -146.810664
where:
bonds (distance) C4'-P energy: -35.936
bonds (distance) P-C4' energy: -46.185
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -255.996057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.996057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.996057 (E_RNA)
where:
Base-Base interactions energy: -118.753
where: short stacking energy: -85.882
Base-Backbone interact. energy: 0.674
local terms energy: -137.916616
where:
bonds (distance) C4'-P energy: -32.902
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -905.427714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.427714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.427714 (E_RNA)
where:
Base-Base interactions energy: -634.586
where: short stacking energy: -257.268
Base-Backbone interact. energy: -0.344
local terms energy: -270.497830
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -50.057
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -39.459
tors. eta vs tors. theta energy: -77.671
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: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -887.934324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.934324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.934324 (E_RNA)
where:
Base-Base interactions energy: -616.535
where: short stacking energy: -258.899
Base-Backbone interact. energy: 1.810
local terms energy: -273.208671
where:
bonds (distance) C4'-P energy: -46.676
bonds (distance) P-C4' energy: -51.532
flat angles C4'-P-C4' energy: -51.115
flat angles P-C4'-P energy: -39.638
tors. eta vs tors. theta energy: -84.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -884.454978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.454978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.454978 (E_RNA)
where:
Base-Base interactions energy: -624.453
where: short stacking energy: -270.515
Base-Backbone interact. energy: -0.022
local terms energy: -259.980118
where:
bonds (distance) C4'-P energy: -45.786
bonds (distance) P-C4' energy: -39.223
flat angles C4'-P-C4' energy: -54.989
flat angles P-C4'-P energy: -36.839
tors. eta vs tors. theta energy: -83.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -734.875606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.875606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.875606 (E_RNA)
where:
Base-Base interactions energy: -511.272
where: short stacking energy: -225.213
Base-Backbone interact. energy: -1.418
local terms energy: -222.186192
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -47.488
flat angles C4'-P-C4' energy: -44.100
flat angles P-C4'-P energy: -29.553
tors. eta vs tors. theta energy: -59.010
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: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -753.018853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.018853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.018853 (E_RNA)
where:
Base-Base interactions energy: -537.963
where: short stacking energy: -227.950
Base-Backbone interact. energy: -1.569
local terms energy: -213.486576
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: -71.387
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: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -682.843675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.843675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.843675 (E_RNA)
where:
Base-Base interactions energy: -461.073
where: short stacking energy: -209.519
Base-Backbone interact. energy: -0.772
local terms energy: -220.998226
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -47.688
flat angles C4'-P-C4' energy: -45.397
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -62.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -528.995081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.995081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.995081 (E_RNA)
where:
Base-Base interactions energy: -346.580
where: short stacking energy: -151.621
Base-Backbone interact. energy: -1.085
local terms energy: -181.330634
where:
bonds (distance) C4'-P energy: -36.680
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -43.924
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -363.127355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.127355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.127355 (E_RNA)
where:
Base-Base interactions energy: -209.645
where: short stacking energy: -107.641
Base-Backbone interact. energy: 4.690
local terms energy: -158.172301
where:
bonds (distance) C4'-P energy: -48.858
bonds (distance) P-C4' energy: -38.526
flat angles C4'-P-C4' energy: -43.338
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -12.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -224.040640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.040640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.040640 (E_RNA)
where:
Base-Base interactions energy: -99.411
where: short stacking energy: -85.174
Base-Backbone interact. energy: -2.540
local terms energy: -122.089142
where:
bonds (distance) C4'-P energy: -39.059
bonds (distance) P-C4' energy: -47.774
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: 9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -224.460650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.460650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.460650 (E_RNA)
where:
Base-Base interactions energy: -106.315
where: short stacking energy: -44.818
Base-Backbone interact. energy: -0.483
local terms energy: -117.662965
where:
bonds (distance) C4'-P energy: -42.793
bonds (distance) P-C4' energy: -41.359
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: 10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -926.654126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.654126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.654126 (E_RNA)
where:
Base-Base interactions energy: -653.473
where: short stacking energy: -279.418
Base-Backbone interact. energy: -0.400
local terms energy: -272.781630
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -51.396
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -84.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -897.277800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.277800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.277800 (E_RNA)
where:
Base-Base interactions energy: -630.241
where: short stacking energy: -268.674
Base-Backbone interact. energy: -0.004
local terms energy: -267.033208
where:
bonds (distance) C4'-P energy: -47.711
bonds (distance) P-C4' energy: -48.363
flat angles C4'-P-C4' energy: -54.071
flat angles P-C4'-P energy: -36.308
tors. eta vs tors. theta energy: -80.580
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: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -876.703876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.703876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.703876 (E_RNA)
where:
Base-Base interactions energy: -610.754
where: short stacking energy: -267.570
Base-Backbone interact. energy: -0.703
local terms energy: -265.247653
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -45.780
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -78.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -746.536106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.536106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.536106 (E_RNA)
where:
Base-Base interactions energy: -501.785
where: short stacking energy: -217.097
Base-Backbone interact. energy: -0.420
local terms energy: -244.330808
where:
bonds (distance) C4'-P energy: -47.224
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -66.236
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: 450
Temperature: 1.100000
Total energy: -741.409808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.409808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.409808 (E_RNA)
where:
Base-Base interactions energy: -522.241
where: short stacking energy: -219.234
Base-Backbone interact. energy: -0.257
local terms energy: -218.911233
where:
bonds (distance) C4'-P energy: -35.338
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -48.234
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -696.550336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.550336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.550336 (E_RNA)
where:
Base-Base interactions energy: -488.786
where: short stacking energy: -208.267
Base-Backbone interact. energy: -0.424
local terms energy: -207.339784
where:
bonds (distance) C4'-P energy: -29.956
bonds (distance) P-C4' energy: -31.624
flat angles C4'-P-C4' energy: -51.796
flat angles P-C4'-P energy: -33.293
tors. eta vs tors. theta energy: -60.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -603.829982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.829982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.829982 (E_RNA)
where:
Base-Base interactions energy: -397.145
where: short stacking energy: -196.505
Base-Backbone interact. energy: -0.953
local terms energy: -205.732086
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -47.815
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -56.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -343.538753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.538753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.538753 (E_RNA)
where:
Base-Base interactions energy: -184.459
where: short stacking energy: -94.754
Base-Backbone interact. energy: 0.861
local terms energy: -159.940684
where:
bonds (distance) C4'-P energy: -35.495
bonds (distance) P-C4' energy: -47.103
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -30.346
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -229.720786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.720786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.720786 (E_RNA)
where:
Base-Base interactions energy: -104.680
where: short stacking energy: -71.411
Base-Backbone interact. energy: -0.319
local terms energy: -124.722362
where:
bonds (distance) C4'-P energy: -30.791
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -39.596
flat angles P-C4'-P energy: -20.853
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -207.457494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.457494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.457494 (E_RNA)
where:
Base-Base interactions energy: -75.379
where: short stacking energy: -60.887
Base-Backbone interact. energy: 1.462
local terms energy: -133.540327
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -26.350
tors. eta vs tors. theta energy: 0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -913.991397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.991397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.991397 (E_RNA)
where:
Base-Base interactions energy: -628.124
where: short stacking energy: -266.282
Base-Backbone interact. energy: -0.078
local terms energy: -285.789738
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -85.234
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: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -889.089502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.089502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.089502 (E_RNA)
where:
Base-Base interactions energy: -630.852
where: short stacking energy: -269.019
Base-Backbone interact. energy: -0.009
local terms energy: -258.228321
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -52.913
flat angles P-C4'-P energy: -39.745
tors. eta vs tors. theta energy: -79.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -880.532641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.532641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.532641 (E_RNA)
where:
Base-Base interactions energy: -620.272
where: short stacking energy: -268.029
Base-Backbone interact. energy: -0.010
local terms energy: -260.249803
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -46.339
flat angles C4'-P-C4' energy: -51.628
flat angles P-C4'-P energy: -33.242
tors. eta vs tors. theta energy: -84.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -767.440181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.440181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.440181 (E_RNA)
where:
Base-Base interactions energy: -544.551
where: short stacking energy: -237.369
Base-Backbone interact. energy: 0.305
local terms energy: -223.194164
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -48.104
flat angles C4'-P-C4' energy: -46.939
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -65.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -716.989447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.989447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.989447 (E_RNA)
where:
Base-Base interactions energy: -486.064
where: short stacking energy: -201.753
Base-Backbone interact. energy: -0.765
local terms energy: -230.161101
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -45.319
flat angles C4'-P-C4' energy: -50.882
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -64.167
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: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -694.094368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.094368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.094368 (E_RNA)
where:
Base-Base interactions energy: -483.769
where: short stacking energy: -202.757
Base-Backbone interact. energy: -0.534
local terms energy: -209.791528
where:
bonds (distance) C4'-P energy: -28.735
bonds (distance) P-C4' energy: -44.276
flat angles C4'-P-C4' energy: -38.908
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -68.371
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: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -584.232260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.232260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.232260 (E_RNA)
where:
Base-Base interactions energy: -379.559
where: short stacking energy: -184.866
Base-Backbone interact. energy: 0.538
local terms energy: -205.211040
where:
bonds (distance) C4'-P energy: -42.356
bonds (distance) P-C4' energy: -38.061
flat angles C4'-P-C4' energy: -48.054
flat angles P-C4'-P energy: -27.847
tors. eta vs tors. theta energy: -48.893
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: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -388.318137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.318137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.318137 (E_RNA)
where:
Base-Base interactions energy: -230.558
where: short stacking energy: -105.109
Base-Backbone interact. energy: -0.138
local terms energy: -157.621575
where:
bonds (distance) C4'-P energy: -39.285
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -44.867
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -224.807881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.807881 (E_RNA)
where:
Base-Base interactions energy: -94.021
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.009
local terms energy: -130.778526
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -39.297
flat angles C4'-P-C4' energy: -34.500
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -213.440772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.440772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.440772 (E_RNA)
where:
Base-Base interactions energy: -75.510
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.638
local terms energy: -137.292849
where:
bonds (distance) C4'-P energy: -37.946
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: 4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -904.832239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.832239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.832239 (E_RNA)
where:
Base-Base interactions energy: -635.486
where: short stacking energy: -277.494
Base-Backbone interact. energy: -1.834
local terms energy: -267.512238
where:
bonds (distance) C4'-P energy: -45.242
bonds (distance) P-C4' energy: -43.658
flat angles C4'-P-C4' energy: -52.347
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -84.004
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: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -900.542175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.542175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.542175 (E_RNA)
where:
Base-Base interactions energy: -633.114
where: short stacking energy: -268.640
Base-Backbone interact. energy: -0.140
local terms energy: -267.287703
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -39.701
flat angles C4'-P-C4' energy: -55.270
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -85.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -874.791694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.791694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.791694 (E_RNA)
where:
Base-Base interactions energy: -619.113
where: short stacking energy: -270.123
Base-Backbone interact. energy: -0.007
local terms energy: -255.671227
where:
bonds (distance) C4'-P energy: -47.045
bonds (distance) P-C4' energy: -41.435
flat angles C4'-P-C4' energy: -55.743
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -81.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -745.881572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.881572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.881572 (E_RNA)
where:
Base-Base interactions energy: -520.262
where: short stacking energy: -230.289
Base-Backbone interact. energy: 0.345
local terms energy: -225.965000
where:
bonds (distance) C4'-P energy: -48.521
bonds (distance) P-C4' energy: -40.881
flat angles C4'-P-C4' energy: -37.365
flat angles P-C4'-P energy: -36.790
tors. eta vs tors. theta energy: -62.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -698.904338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.904338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.904338 (E_RNA)
where:
Base-Base interactions energy: -474.988
where: short stacking energy: -196.398
Base-Backbone interact. energy: -0.491
local terms energy: -223.424780
where:
bonds (distance) C4'-P energy: -45.977
bonds (distance) P-C4' energy: -45.125
flat angles C4'-P-C4' energy: -42.507
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -53.259
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: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -725.697003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.697003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.697003 (E_RNA)
where:
Base-Base interactions energy: -490.982
where: short stacking energy: -219.335
Base-Backbone interact. energy: 1.068
local terms energy: -235.782615
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -47.399
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -34.984
tors. eta vs tors. theta energy: -67.159
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: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -603.868672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.868672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.868672 (E_RNA)
where:
Base-Base interactions energy: -403.727
where: short stacking energy: -174.627
Base-Backbone interact. energy: -0.560
local terms energy: -199.581099
where:
bonds (distance) C4'-P energy: -29.922
bonds (distance) P-C4' energy: -38.743
flat angles C4'-P-C4' energy: -49.769
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -54.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -390.223901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.223901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.223901 (E_RNA)
where:
Base-Base interactions energy: -229.308
where: short stacking energy: -118.579
Base-Backbone interact. energy: 0.286
local terms energy: -161.202601
where:
bonds (distance) C4'-P energy: -35.144
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -46.621
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -203.430896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.430896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.430896 (E_RNA)
where:
Base-Base interactions energy: -59.317
where: short stacking energy: -56.219
Base-Backbone interact. energy: 0.078
local terms energy: -144.191696
where:
bonds (distance) C4'-P energy: -37.137
bonds (distance) P-C4' energy: -43.474
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -209.958952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.958952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.958952 (E_RNA)
where:
Base-Base interactions energy: -84.641
where: short stacking energy: -57.335
Base-Backbone interact. energy: -0.911
local terms energy: -124.407274
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -47.778
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -20.165
tors. eta vs tors. theta energy: -3.822
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: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -904.370775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.370775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.370775 (E_RNA)
where:
Base-Base interactions energy: -632.119
where: short stacking energy: -267.233
Base-Backbone interact. energy: -0.494
local terms energy: -271.757892
where:
bonds (distance) C4'-P energy: -47.376
bonds (distance) P-C4' energy: -49.002
flat angles C4'-P-C4' energy: -54.671
flat angles P-C4'-P energy: -37.955
tors. eta vs tors. theta energy: -82.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -902.035084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.035084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.035084 (E_RNA)
where:
Base-Base interactions energy: -637.794
where: short stacking energy: -272.039
Base-Backbone interact. energy: -0.079
local terms energy: -264.162554
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -46.201
flat angles C4'-P-C4' energy: -52.080
flat angles P-C4'-P energy: -35.857
tors. eta vs tors. theta energy: -85.381
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: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -873.904668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.904668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.904668 (E_RNA)
where:
Base-Base interactions energy: -621.109
where: short stacking energy: -266.047
Base-Backbone interact. energy: -0.013
local terms energy: -252.783392
where:
bonds (distance) C4'-P energy: -44.157
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -54.360
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: -79.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -770.615006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.615006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.615006 (E_RNA)
where:
Base-Base interactions energy: -550.930
where: short stacking energy: -235.930
Base-Backbone interact. energy: -1.197
local terms energy: -218.488256
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -38.410
flat angles C4'-P-C4' energy: -41.950
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -65.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -713.735258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.735258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.735258 (E_RNA)
where:
Base-Base interactions energy: -494.810
where: short stacking energy: -201.129
Base-Backbone interact. energy: -0.924
local terms energy: -218.001111
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -41.928
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -61.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -720.895692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.895692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.895692 (E_RNA)
where:
Base-Base interactions energy: -491.939
where: short stacking energy: -205.463
Base-Backbone interact. energy: 0.410
local terms energy: -229.366823
where:
bonds (distance) C4'-P energy: -39.916
bonds (distance) P-C4' energy: -45.632
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -32.017
tors. eta vs tors. theta energy: -64.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -620.328503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.328503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.328503 (E_RNA)
where:
Base-Base interactions energy: -410.720
where: short stacking energy: -172.659
Base-Backbone interact. energy: -1.959
local terms energy: -207.649167
where:
bonds (distance) C4'-P energy: -38.904
bonds (distance) P-C4' energy: -42.970
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -53.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -330.407116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.407116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.407116 (E_RNA)
where:
Base-Base interactions energy: -191.067
where: short stacking energy: -96.942
Base-Backbone interact. energy: -1.608
local terms energy: -137.731933
where:
bonds (distance) C4'-P energy: -39.826
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -41.597
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -204.607412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.607412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.607412 (E_RNA)
where:
Base-Base interactions energy: -73.320
where: short stacking energy: -64.471
Base-Backbone interact. energy: -1.090
local terms energy: -130.197504
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -40.632
flat angles C4'-P-C4' energy: -33.638
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -226.469654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.469654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.469654 (E_RNA)
where:
Base-Base interactions energy: -88.311
where: short stacking energy: -65.884
Base-Backbone interact. energy: -0.349
local terms energy: -137.809799
where:
bonds (distance) C4'-P energy: -38.778
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -40.128
flat angles P-C4'-P energy: -25.953
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -912.654386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.654386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.654386 (E_RNA)
where:
Base-Base interactions energy: -643.966
where: short stacking energy: -273.879
Base-Backbone interact. energy: 1.291
local terms energy: -269.978780
where:
bonds (distance) C4'-P energy: -47.957
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -86.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -881.424620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.424620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.424620 (E_RNA)
where:
Base-Base interactions energy: -621.360
where: short stacking energy: -271.445
Base-Backbone interact. energy: 0.787
local terms energy: -260.851777
where:
bonds (distance) C4'-P energy: -46.885
bonds (distance) P-C4' energy: -42.109
flat angles C4'-P-C4' energy: -53.428
flat angles P-C4'-P energy: -38.476
tors. eta vs tors. theta energy: -79.954
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: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -877.739755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.739755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.739755 (E_RNA)
where:
Base-Base interactions energy: -632.513
where: short stacking energy: -265.096
Base-Backbone interact. energy: -0.267
local terms energy: -244.959782
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -43.380
flat angles C4'-P-C4' energy: -48.489
flat angles P-C4'-P energy: -32.126
tors. eta vs tors. theta energy: -79.064
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: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -751.473067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.473067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.473067 (E_RNA)
where:
Base-Base interactions energy: -519.299
where: short stacking energy: -223.056
Base-Backbone interact. energy: -0.516
local terms energy: -231.658143
where:
bonds (distance) C4'-P energy: -46.544
bonds (distance) P-C4' energy: -42.097
flat angles C4'-P-C4' energy: -44.909
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -64.061
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -706.482441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.482441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.482441 (E_RNA)
where:
Base-Base interactions energy: -481.224
where: short stacking energy: -215.797
Base-Backbone interact. energy: -0.607
local terms energy: -224.651622
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -54.966
flat angles P-C4'-P energy: -30.595
tors. eta vs tors. theta energy: -59.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -684.820201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.820201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.820201 (E_RNA)
where:
Base-Base interactions energy: -492.775
where: short stacking energy: -195.953
Base-Backbone interact. energy: -1.336
local terms energy: -190.708237
where:
bonds (distance) C4'-P energy: -37.309
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -44.878
flat angles P-C4'-P energy: -28.646
tors. eta vs tors. theta energy: -44.537
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: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -621.200947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.200947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.200947 (E_RNA)
where:
Base-Base interactions energy: -417.712
where: short stacking energy: -181.296
Base-Backbone interact. energy: 1.550
local terms energy: -205.038600
where:
bonds (distance) C4'-P energy: -37.204
bonds (distance) P-C4' energy: -38.215
flat angles C4'-P-C4' energy: -52.894
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -45.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -359.402046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.402046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.402046 (E_RNA)
where:
Base-Base interactions energy: -196.613
where: short stacking energy: -100.759
Base-Backbone interact. energy: -3.010
local terms energy: -159.779605
where:
bonds (distance) C4'-P energy: -40.752
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -42.367
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -209.439126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.439126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.439126 (E_RNA)
where:
Base-Base interactions energy: -68.942
where: short stacking energy: -64.741
Base-Backbone interact. energy: -1.496
local terms energy: -139.001765
where:
bonds (distance) C4'-P energy: -39.469
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -27.409
flat angles P-C4'-P energy: -21.583
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -202.868384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.868384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.868384 (E_RNA)
where:
Base-Base interactions energy: -81.423
where: short stacking energy: -59.613
Base-Backbone interact. energy: 1.696
local terms energy: -123.141283
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -35.574
flat angles C4'-P-C4' energy: -33.223
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: 9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -907.939835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.939835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.939835 (E_RNA)
where:
Base-Base interactions energy: -642.125
where: short stacking energy: -283.675
Base-Backbone interact. energy: -0.006
local terms energy: -265.808413
where:
bonds (distance) C4'-P energy: -48.981
bonds (distance) P-C4' energy: -43.130
flat angles C4'-P-C4' energy: -51.652
flat angles P-C4'-P energy: -40.701
tors. eta vs tors. theta energy: -81.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -884.977414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.977414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.977414 (E_RNA)
where:
Base-Base interactions energy: -637.580
where: short stacking energy: -258.522
Base-Backbone interact. energy: 1.414
local terms energy: -248.811383
where:
bonds (distance) C4'-P energy: -45.863
bonds (distance) P-C4' energy: -47.967
flat angles C4'-P-C4' energy: -47.235
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -79.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -861.103633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.103633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.103633 (E_RNA)
where:
Base-Base interactions energy: -617.199
where: short stacking energy: -256.071
Base-Backbone interact. energy: -0.363
local terms energy: -243.541737
where:
bonds (distance) C4'-P energy: -34.909
bonds (distance) P-C4' energy: -38.467
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -80.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -764.409071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.409071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.409071 (E_RNA)
where:
Base-Base interactions energy: -526.438
where: short stacking energy: -230.035
Base-Backbone interact. energy: -0.643
local terms energy: -237.328574
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -47.568
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -70.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -724.652337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.652337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.652337 (E_RNA)
where:
Base-Base interactions energy: -484.165
where: short stacking energy: -204.272
Base-Backbone interact. energy: -0.133
local terms energy: -240.354910
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -45.780
flat angles C4'-P-C4' energy: -47.656
flat angles P-C4'-P energy: -33.472
tors. eta vs tors. theta energy: -63.289
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: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -678.672283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.672283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.672283 (E_RNA)
where:
Base-Base interactions energy: -485.426
where: short stacking energy: -193.372
Base-Backbone interact. energy: -1.735
local terms energy: -191.511904
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -40.448
flat angles C4'-P-C4' energy: -47.176
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -54.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -661.029953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.029953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.029953 (E_RNA)
where:
Base-Base interactions energy: -448.482
where: short stacking energy: -211.024
Base-Backbone interact. energy: 0.894
local terms energy: -213.442489
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -48.006
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -55.604
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: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -359.039211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.039211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.039211 (E_RNA)
where:
Base-Base interactions energy: -211.648
where: short stacking energy: -103.101
Base-Backbone interact. energy: -0.309
local terms energy: -147.081493
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -40.698
flat angles C4'-P-C4' energy: -39.790
flat angles P-C4'-P energy: -10.662
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: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -238.327752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.327752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.327752 (E_RNA)
where:
Base-Base interactions energy: -103.511
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.991
local terms energy: -133.826073
where:
bonds (distance) C4'-P energy: -32.954
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -40.524
flat angles P-C4'-P energy: -28.164
tors. eta vs tors. theta energy: 8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -264.440305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.440305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.440305 (E_RNA)
where:
Base-Base interactions energy: -119.463
where: short stacking energy: -82.764
Base-Backbone interact. energy: -0.954
local terms energy: -144.023276
where:
bonds (distance) C4'-P energy: -40.512
bonds (distance) P-C4' energy: -36.703
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -916.624691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.624691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.624691 (E_RNA)
where:
Base-Base interactions energy: -642.714
where: short stacking energy: -272.005
Base-Backbone interact. energy: -0.050
local terms energy: -273.860320
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -49.144
flat angles C4'-P-C4' energy: -57.078
flat angles P-C4'-P energy: -40.466
tors. eta vs tors. theta energy: -87.317
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: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -887.782808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.782808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.782808 (E_RNA)
where:
Base-Base interactions energy: -606.225
where: short stacking energy: -271.433
Base-Backbone interact. energy: -0.020
local terms energy: -281.537809
where:
bonds (distance) C4'-P energy: -49.575
bonds (distance) P-C4' energy: -45.073
flat angles C4'-P-C4' energy: -55.063
flat angles P-C4'-P energy: -47.568
tors. eta vs tors. theta energy: -84.258
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: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -873.709006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.709006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.709006 (E_RNA)
where:
Base-Base interactions energy: -620.810
where: short stacking energy: -270.108
Base-Backbone interact. energy: -0.626
local terms energy: -252.272523
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -41.171
tors. eta vs tors. theta energy: -81.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -768.700459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.700459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.700459 (E_RNA)
where:
Base-Base interactions energy: -514.223
where: short stacking energy: -223.610
Base-Backbone interact. energy: 0.267
local terms energy: -254.744841
where:
bonds (distance) C4'-P energy: -53.625
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -50.658
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -67.276
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: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -722.153159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.153159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.153159 (E_RNA)
where:
Base-Base interactions energy: -519.230
where: short stacking energy: -211.091
Base-Backbone interact. energy: -0.025
local terms energy: -202.898278
where:
bonds (distance) C4'-P energy: -38.266
bonds (distance) P-C4' energy: -28.779
flat angles C4'-P-C4' energy: -49.543
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -59.385
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -724.849500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.849500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.849500 (E_RNA)
where:
Base-Base interactions energy: -490.679
where: short stacking energy: -214.427
Base-Backbone interact. energy: 2.969
local terms energy: -237.139375
where:
bonds (distance) C4'-P energy: -40.841
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -47.230
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -66.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -666.871429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.871429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.871429 (E_RNA)
where:
Base-Base interactions energy: -464.599
where: short stacking energy: -204.145
Base-Backbone interact. energy: -0.342
local terms energy: -201.930954
where:
bonds (distance) C4'-P energy: -41.245
bonds (distance) P-C4' energy: -35.871
flat angles C4'-P-C4' energy: -43.955
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -55.539
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: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -383.133304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.133304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.133304 (E_RNA)
where:
Base-Base interactions energy: -219.692
where: short stacking energy: -118.715
Base-Backbone interact. energy: -0.745
local terms energy: -162.696348
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -44.262
flat angles C4'-P-C4' energy: -42.884
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -278.338407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.338407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.338407 (E_RNA)
where:
Base-Base interactions energy: -133.697
where: short stacking energy: -87.710
Base-Backbone interact. energy: 0.473
local terms energy: -145.114066
where:
bonds (distance) C4'-P energy: -46.198
bonds (distance) P-C4' energy: -49.130
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -0.149
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: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -232.866107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.866107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.866107 (E_RNA)
where:
Base-Base interactions energy: -103.050
where: short stacking energy: -72.114
Base-Backbone interact. energy: -0.678
local terms energy: -129.137425
where:
bonds (distance) C4'-P energy: -35.300
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -36.284
flat angles P-C4'-P energy: -19.864
tors. eta vs tors. theta energy: -2.270
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: 1, replica: 9
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -919.111881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.111881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.111881 (E_RNA)
where:
Base-Base interactions energy: -648.946
where: short stacking energy: -274.728
Base-Backbone interact. energy: -0.224
local terms energy: -269.941555
where:
bonds (distance) C4'-P energy: -47.785
bonds (distance) P-C4' energy: -45.419
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -42.249
tors. eta vs tors. theta energy: -82.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -893.900909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.900909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.900909 (E_RNA)
where:
Base-Base interactions energy: -644.260
where: short stacking energy: -264.716
Base-Backbone interact. energy: -0.136
local terms energy: -249.504398
where:
bonds (distance) C4'-P energy: -37.945
bonds (distance) P-C4' energy: -46.276
flat angles C4'-P-C4' energy: -50.849
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: -79.303
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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -878.832240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.832240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.832240 (E_RNA)
where:
Base-Base interactions energy: -622.472
where: short stacking energy: -261.146
Base-Backbone interact. energy: -0.199
local terms energy: -256.161311
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -43.919
flat angles C4'-P-C4' energy: -51.568
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -82.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -774.624835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.624835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.624835 (E_RNA)
where:
Base-Base interactions energy: -535.478
where: short stacking energy: -233.813
Base-Backbone interact. energy: -2.480
local terms energy: -236.666911
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -43.066
flat angles C4'-P-C4' energy: -45.832
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -69.840
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: 5, replica: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -715.488262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.488262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.488262 (E_RNA)
where:
Base-Base interactions energy: -489.888
where: short stacking energy: -210.229
Base-Backbone interact. energy: -0.294
local terms energy: -225.305805
where:
bonds (distance) C4'-P energy: -33.266
bonds (distance) P-C4' energy: -46.506
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -64.845
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: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -726.967353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.967353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.967353 (E_RNA)
where:
Base-Base interactions energy: -494.519
where: short stacking energy: -196.813
Base-Backbone interact. energy: -0.002
local terms energy: -232.446144
where:
bonds (distance) C4'-P energy: -45.778
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -46.280
flat angles P-C4'-P energy: -32.025
tors. eta vs tors. theta energy: -67.136
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: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -648.190980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.190980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.190980 (E_RNA)
where:
Base-Base interactions energy: -445.860
where: short stacking energy: -183.759
Base-Backbone interact. energy: -1.526
local terms energy: -200.804727
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -36.375
flat angles C4'-P-C4' energy: -47.544
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -49.170
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -378.399610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.399610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.399610 (E_RNA)
where:
Base-Base interactions energy: -228.010
where: short stacking energy: -110.437
Base-Backbone interact. energy: -2.601
local terms energy: -147.789249
where:
bonds (distance) C4'-P energy: -32.059
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -42.907
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -204.774319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.774319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.774319 (E_RNA)
where:
Base-Base interactions energy: -75.746
where: short stacking energy: -65.371
Base-Backbone interact. energy: 0.845
local terms energy: -129.874050
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -42.648
flat angles C4'-P-C4' energy: -35.515
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: 1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -203.837461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.837461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.837461 (E_RNA)
where:
Base-Base interactions energy: -76.740
where: short stacking energy: -64.579
Base-Backbone interact. energy: -0.395
local terms energy: -126.701974
where:
bonds (distance) C4'-P energy: -37.242
bonds (distance) P-C4' energy: -47.062
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -887.829478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.829478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.829478 (E_RNA)
where:
Base-Base interactions energy: -638.203
where: short stacking energy: -267.904
Base-Backbone interact. energy: 0.010
local terms energy: -249.636011
where:
bonds (distance) C4'-P energy: -44.319
bonds (distance) P-C4' energy: -40.915
flat angles C4'-P-C4' energy: -49.663
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -74.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -902.647761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.647761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.647761 (E_RNA)
where:
Base-Base interactions energy: -636.711
where: short stacking energy: -264.489
Base-Backbone interact. energy: -0.045
local terms energy: -265.892171
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -57.233
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -83.088
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: 10
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -788.286513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.286513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.286513 (E_RNA)
where:
Base-Base interactions energy: -551.103
where: short stacking energy: -235.826
Base-Backbone interact. energy: -0.830
local terms energy: -236.353366
where:
bonds (distance) C4'-P energy: -44.681
bonds (distance) P-C4' energy: -39.798
flat angles C4'-P-C4' energy: -48.726
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -68.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -851.554542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.554542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.554542 (E_RNA)
where:
Base-Base interactions energy: -603.472
where: short stacking energy: -249.452
Base-Backbone interact. energy: -0.022
local terms energy: -248.060793
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -53.919
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -79.409
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -756.273941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.273941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.273941 (E_RNA)
where:
Base-Base interactions energy: -522.925
where: short stacking energy: -217.489
Base-Backbone interact. energy: -0.030
local terms energy: -233.318789
where:
bonds (distance) C4'-P energy: -32.344
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -49.100
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -74.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -690.415246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.415246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.415246 (E_RNA)
where:
Base-Base interactions energy: -473.148
where: short stacking energy: -190.028
Base-Backbone interact. energy: 0.607
local terms energy: -217.874585
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -47.495
flat angles C4'-P-C4' energy: -48.796
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -56.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -615.227421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.227421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.227421 (E_RNA)
where:
Base-Base interactions energy: -403.218
where: short stacking energy: -186.609
Base-Backbone interact. energy: -0.163
local terms energy: -211.846176
where:
bonds (distance) C4'-P energy: -40.569
bonds (distance) P-C4' energy: -46.931
flat angles C4'-P-C4' energy: -38.265
flat angles P-C4'-P energy: -33.845
tors. eta vs tors. theta energy: -52.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -372.259781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.259781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.259781 (E_RNA)
where:
Base-Base interactions energy: -207.439
where: short stacking energy: -110.190
Base-Backbone interact. energy: -0.730
local terms energy: -164.090396
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -39.923
flat angles C4'-P-C4' energy: -44.064
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -237.653460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.653460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.653460 (E_RNA)
where:
Base-Base interactions energy: -93.428
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.311
local terms energy: -143.914423
where:
bonds (distance) C4'-P energy: -40.723
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -35.008
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: 1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -198.647837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.647837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.647837 (E_RNA)
where:
Base-Base interactions energy: -88.464
where: short stacking energy: -69.403
Base-Backbone interact. energy: 1.862
local terms energy: -112.046568
where:
bonds (distance) C4'-P energy: -24.525
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -899.913715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.913715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.913715 (E_RNA)
where:
Base-Base interactions energy: -632.725
where: short stacking energy: -265.954
Base-Backbone interact. energy: -0.108
local terms energy: -267.081226
where:
bonds (distance) C4'-P energy: -47.187
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -51.076
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -83.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -902.690258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.690258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.690258 (E_RNA)
where:
Base-Base interactions energy: -637.923
where: short stacking energy: -265.496
Base-Backbone interact. energy: -0.109
local terms energy: -264.658201
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: -79.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -781.881913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.881913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.881913 (E_RNA)
where:
Base-Base interactions energy: -553.061
where: short stacking energy: -238.915
Base-Backbone interact. energy: 0.077
local terms energy: -228.897319
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -41.127
flat angles C4'-P-C4' energy: -57.267
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: -63.321
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: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -867.979387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.979387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.979387 (E_RNA)
where:
Base-Base interactions energy: -611.826
where: short stacking energy: -253.494
Base-Backbone interact. energy: 2.388
local terms energy: -258.540498
where:
bonds (distance) C4'-P energy: -45.280
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -52.913
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -77.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -749.195777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.195777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.195777 (E_RNA)
where:
Base-Base interactions energy: -498.047
where: short stacking energy: -225.998
Base-Backbone interact. energy: -0.754
local terms energy: -250.394485
where:
bonds (distance) C4'-P energy: -39.942
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -77.660
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: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -706.128959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.128959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.128959 (E_RNA)
where:
Base-Base interactions energy: -488.363
where: short stacking energy: -201.669
Base-Backbone interact. energy: 1.076
local terms energy: -218.842234
where:
bonds (distance) C4'-P energy: -50.527
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -49.290
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -50.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -607.182266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.182266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.182266 (E_RNA)
where:
Base-Base interactions energy: -418.070
where: short stacking energy: -192.874
Base-Backbone interact. energy: -0.198
local terms energy: -188.914523
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -35.968
flat angles P-C4'-P energy: -30.639
tors. eta vs tors. theta energy: -54.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -377.747926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.747926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.747926 (E_RNA)
where:
Base-Base interactions energy: -218.153
where: short stacking energy: -108.973
Base-Backbone interact. energy: -0.656
local terms energy: -158.939002
where:
bonds (distance) C4'-P energy: -47.298
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -222.954097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.954097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.954097 (E_RNA)
where:
Base-Base interactions energy: -85.293
where: short stacking energy: -71.238
Base-Backbone interact. energy: -1.451
local terms energy: -136.209459
where:
bonds (distance) C4'-P energy: -41.895
bonds (distance) P-C4' energy: -46.063
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -216.804495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.804495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.804495 (E_RNA)
where:
Base-Base interactions energy: -92.652
where: short stacking energy: -63.002
Base-Backbone interact. energy: -1.020
local terms energy: -123.131787
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -909.908555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.908555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.908555 (E_RNA)
where:
Base-Base interactions energy: -635.863
where: short stacking energy: -279.623
Base-Backbone interact. energy: -0.233
local terms energy: -273.811952
where:
bonds (distance) C4'-P energy: -51.995
bonds (distance) P-C4' energy: -43.217
flat angles C4'-P-C4' energy: -54.784
flat angles P-C4'-P energy: -38.568
tors. eta vs tors. theta energy: -85.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -887.764238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.764238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.764238 (E_RNA)
where:
Base-Base interactions energy: -621.425
where: short stacking energy: -265.438
Base-Backbone interact. energy: -0.737
local terms energy: -265.602733
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -45.872
flat angles C4'-P-C4' energy: -55.557
flat angles P-C4'-P energy: -34.363
tors. eta vs tors. theta energy: -85.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -876.659469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.659469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.659469 (E_RNA)
where:
Base-Base interactions energy: -633.381
where: short stacking energy: -266.959
Base-Backbone interact. energy: -0.815
local terms energy: -242.463995
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -50.159
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -79.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -773.769860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.769860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.769860 (E_RNA)
where:
Base-Base interactions energy: -533.774
where: short stacking energy: -223.225
Base-Backbone interact. energy: -0.816
local terms energy: -239.180434
where:
bonds (distance) C4'-P energy: -44.599
bonds (distance) P-C4' energy: -46.676
flat angles C4'-P-C4' energy: -45.603
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -64.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -710.532435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.532435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.532435 (E_RNA)
where:
Base-Base interactions energy: -493.307
where: short stacking energy: -204.485
Base-Backbone interact. energy: -0.767
local terms energy: -216.458838
where:
bonds (distance) C4'-P energy: -37.741
bonds (distance) P-C4' energy: -43.229
flat angles C4'-P-C4' energy: -50.407
flat angles P-C4'-P energy: -32.769
tors. eta vs tors. theta energy: -52.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -726.491029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.491029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.491029 (E_RNA)
where:
Base-Base interactions energy: -488.979
where: short stacking energy: -213.587
Base-Backbone interact. energy: 0.374
local terms energy: -237.885840
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -51.154
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -66.817
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: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -564.679871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.679871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.679871 (E_RNA)
where:
Base-Base interactions energy: -369.432
where: short stacking energy: -145.574
Base-Backbone interact. energy: -0.049
local terms energy: -195.199478
where:
bonds (distance) C4'-P energy: -44.316
bonds (distance) P-C4' energy: -47.151
flat angles C4'-P-C4' energy: -36.124
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -45.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -409.971837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.971837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.971837 (E_RNA)
where:
Base-Base interactions energy: -246.417
where: short stacking energy: -121.189
Base-Backbone interact. energy: -0.516
local terms energy: -163.038902
where:
bonds (distance) C4'-P energy: -40.159
bonds (distance) P-C4' energy: -38.187
flat angles C4'-P-C4' energy: -44.422
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -243.620284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.620284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.620284 (E_RNA)
where:
Base-Base interactions energy: -131.367
where: short stacking energy: -71.075
Base-Backbone interact. energy: 4.632
local terms energy: -116.885212
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -36.609
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: 9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -194.927763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.927763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.927763 (E_RNA)
where:
Base-Base interactions energy: -73.006
where: short stacking energy: -55.747
Base-Backbone interact. energy: 3.730
local terms energy: -125.652543
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -39.490
flat angles C4'-P-C4' energy: -46.155
flat angles P-C4'-P energy: -24.135
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: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -903.348663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.348663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.348663 (E_RNA)
where:
Base-Base interactions energy: -642.795
where: short stacking energy: -275.037
Base-Backbone interact. energy: -0.432
local terms energy: -260.121027
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -40.004
flat angles C4'-P-C4' energy: -50.956
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -83.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -896.059091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.059091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.059091 (E_RNA)
where:
Base-Base interactions energy: -629.289
where: short stacking energy: -269.098
Base-Backbone interact. energy: -0.631
local terms energy: -266.139248
where:
bonds (distance) C4'-P energy: -41.413
bonds (distance) P-C4' energy: -47.843
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -84.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -894.023564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.023564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.023564 (E_RNA)
where:
Base-Base interactions energy: -619.941
where: short stacking energy: -274.582
Base-Backbone interact. energy: -0.546
local terms energy: -273.537274
where:
bonds (distance) C4'-P energy: -44.021
bonds (distance) P-C4' energy: -48.265
flat angles C4'-P-C4' energy: -54.897
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -84.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -732.413171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.413171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.413171 (E_RNA)
where:
Base-Base interactions energy: -518.860
where: short stacking energy: -216.168
Base-Backbone interact. energy: 1.201
local terms energy: -214.753508
where:
bonds (distance) C4'-P energy: -43.559
bonds (distance) P-C4' energy: -43.307
flat angles C4'-P-C4' energy: -45.211
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -55.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -766.494070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.494070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.494070 (E_RNA)
where:
Base-Base interactions energy: -524.735
where: short stacking energy: -224.217
Base-Backbone interact. energy: -1.348
local terms energy: -240.410160
where:
bonds (distance) C4'-P energy: -47.430
bonds (distance) P-C4' energy: -36.285
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -67.931
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: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -708.373705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.373705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.373705 (E_RNA)
where:
Base-Base interactions energy: -492.812
where: short stacking energy: -209.375
Base-Backbone interact. energy: 0.878
local terms energy: -216.439841
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -40.296
flat angles C4'-P-C4' energy: -45.639
flat angles P-C4'-P energy: -23.108
tors. eta vs tors. theta energy: -69.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -586.985933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.985933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.985933 (E_RNA)
where:
Base-Base interactions energy: -409.592
where: short stacking energy: -184.697
Base-Backbone interact. energy: -1.774
local terms energy: -175.620767
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -36.200
flat angles C4'-P-C4' energy: -34.192
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -54.231
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: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -373.334082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.334082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.334082 (E_RNA)
where:
Base-Base interactions energy: -224.406
where: short stacking energy: -109.981
Base-Backbone interact. energy: 3.023
local terms energy: -151.951048
where:
bonds (distance) C4'-P energy: -31.470
bonds (distance) P-C4' energy: -39.045
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -30.856
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -251.583381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.583381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.583381 (E_RNA)
where:
Base-Base interactions energy: -119.873
where: short stacking energy: -65.964
Base-Backbone interact. energy: -1.198
local terms energy: -130.512387
where:
bonds (distance) C4'-P energy: -38.714
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -44.585
flat angles P-C4'-P energy: -24.311
tors. eta vs tors. theta energy: 11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -202.978447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.978447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.978447 (E_RNA)
where:
Base-Base interactions energy: -69.978
where: short stacking energy: -67.621
Base-Backbone interact. energy: 0.076
local terms energy: -133.076244
where:
bonds (distance) C4'-P energy: -40.218
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -24.751
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -896.184720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.184720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.184720 (E_RNA)
where:
Base-Base interactions energy: -629.988
where: short stacking energy: -265.619
Base-Backbone interact. energy: -0.580
local terms energy: -265.616252
where:
bonds (distance) C4'-P energy: -45.653
bonds (distance) P-C4' energy: -51.032
flat angles C4'-P-C4' energy: -51.492
flat angles P-C4'-P energy: -36.341
tors. eta vs tors. theta energy: -81.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -893.277999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.277999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.277999 (E_RNA)
where:
Base-Base interactions energy: -621.601
where: short stacking energy: -261.397
Base-Backbone interact. energy: 0.931
local terms energy: -272.608854
where:
bonds (distance) C4'-P energy: -42.560
bonds (distance) P-C4' energy: -48.271
flat angles C4'-P-C4' energy: -51.812
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: -85.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -902.178511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.178511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.178511 (E_RNA)
where:
Base-Base interactions energy: -639.418
where: short stacking energy: -273.699
Base-Backbone interact. energy: 1.021
local terms energy: -263.781406
where:
bonds (distance) C4'-P energy: -46.470
bonds (distance) P-C4' energy: -45.521
flat angles C4'-P-C4' energy: -54.248
flat angles P-C4'-P energy: -38.240
tors. eta vs tors. theta energy: -79.303
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: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -733.815182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.815182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.815182 (E_RNA)
where:
Base-Base interactions energy: -497.633
where: short stacking energy: -207.729
Base-Backbone interact. energy: -0.413
local terms energy: -235.768918
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -45.682
flat angles C4'-P-C4' energy: -50.664
flat angles P-C4'-P energy: -35.125
tors. eta vs tors. theta energy: -58.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -766.619885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.619885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.619885 (E_RNA)
where:
Base-Base interactions energy: -542.856
where: short stacking energy: -228.122
Base-Backbone interact. energy: -1.207
local terms energy: -222.557246
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -32.294
flat angles C4'-P-C4' energy: -54.839
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -73.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -696.395382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.395382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.395382 (E_RNA)
where:
Base-Base interactions energy: -484.292
where: short stacking energy: -202.455
Base-Backbone interact. energy: 0.909
local terms energy: -213.012370
where:
bonds (distance) C4'-P energy: -38.741
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -52.761
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -62.085
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: 2
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -544.101572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.101572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.101572 (E_RNA)
where:
Base-Base interactions energy: -344.305
where: short stacking energy: -170.479
Base-Backbone interact. energy: -1.958
local terms energy: -197.838780
where:
bonds (distance) C4'-P energy: -37.939
bonds (distance) P-C4' energy: -42.465
flat angles C4'-P-C4' energy: -44.233
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -38.869
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: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -393.979190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.979190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.979190 (E_RNA)
where:
Base-Base interactions energy: -237.224
where: short stacking energy: -115.488
Base-Backbone interact. energy: -0.300
local terms energy: -156.454864
where:
bonds (distance) C4'-P energy: -36.575
bonds (distance) P-C4' energy: -40.629
flat angles C4'-P-C4' energy: -35.228
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -21.540
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: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -225.337372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.337372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.337372 (E_RNA)
where:
Base-Base interactions energy: -83.577
where: short stacking energy: -80.195
Base-Backbone interact. energy: -0.828
local terms energy: -140.932711
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -39.559
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -284.350749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.350749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.350749 (E_RNA)
where:
Base-Base interactions energy: -156.232
where: short stacking energy: -81.067
Base-Backbone interact. energy: 1.368
local terms energy: -129.486806
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -915.799157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.799157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.799157 (E_RNA)
where:
Base-Base interactions energy: -637.279
where: short stacking energy: -276.266
Base-Backbone interact. energy: -0.083
local terms energy: -278.437108
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -52.271
flat angles C4'-P-C4' energy: -53.485
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -86.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -912.465074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.465074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.465074 (E_RNA)
where:
Base-Base interactions energy: -648.145
where: short stacking energy: -264.122
Base-Backbone interact. energy: -0.351
local terms energy: -263.969965
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -48.459
flat angles C4'-P-C4' energy: -59.171
flat angles P-C4'-P energy: -33.615
tors. eta vs tors. theta energy: -79.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -887.739677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.739677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.739677 (E_RNA)
where:
Base-Base interactions energy: -633.793
where: short stacking energy: -262.805
Base-Backbone interact. energy: -0.079
local terms energy: -253.867384
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -41.754
flat angles C4'-P-C4' energy: -52.476
flat angles P-C4'-P energy: -37.225
tors. eta vs tors. theta energy: -82.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -782.685776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.685776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.685776 (E_RNA)
where:
Base-Base interactions energy: -561.557
where: short stacking energy: -230.682
Base-Backbone interact. energy: 0.310
local terms energy: -221.438606
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -40.499
flat angles C4'-P-C4' energy: -46.302
flat angles P-C4'-P energy: -27.838
tors. eta vs tors. theta energy: -70.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -734.481949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.481949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.481949 (E_RNA)
where:
Base-Base interactions energy: -511.916
where: short stacking energy: -208.923
Base-Backbone interact. energy: -1.012
local terms energy: -221.553582
where:
bonds (distance) C4'-P energy: -38.103
bonds (distance) P-C4' energy: -42.475
flat angles C4'-P-C4' energy: -47.894
flat angles P-C4'-P energy: -38.548
tors. eta vs tors. theta energy: -54.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -711.756051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.756051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.756051 (E_RNA)
where:
Base-Base interactions energy: -479.601
where: short stacking energy: -211.509
Base-Backbone interact. energy: -0.589
local terms energy: -231.565973
where:
bonds (distance) C4'-P energy: -41.403
bonds (distance) P-C4' energy: -47.133
flat angles C4'-P-C4' energy: -41.739
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -67.893
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: 2
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -555.808249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.808249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.808249 (E_RNA)
where:
Base-Base interactions energy: -363.207
where: short stacking energy: -155.534
Base-Backbone interact. energy: -1.408
local terms energy: -191.193227
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -38.093
flat angles P-C4'-P energy: -33.901
tors. eta vs tors. theta energy: -42.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -445.344882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.344882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.344882 (E_RNA)
where:
Base-Base interactions energy: -263.984
where: short stacking energy: -127.977
Base-Backbone interact. energy: -0.528
local terms energy: -180.833020
where:
bonds (distance) C4'-P energy: -35.670
bonds (distance) P-C4' energy: -44.842
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -27.551
tors. eta vs tors. theta energy: -25.159
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: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -206.499907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.499907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.499907 (E_RNA)
where:
Base-Base interactions energy: -71.853
where: short stacking energy: -70.972
Base-Backbone interact. energy: 1.955
local terms energy: -136.602003
where:
bonds (distance) C4'-P energy: -37.742
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -35.759
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -222.128227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.128227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.128227 (E_RNA)
where:
Base-Base interactions energy: -102.101
where: short stacking energy: -61.773
Base-Backbone interact. energy: -3.984
local terms energy: -116.043276
where:
bonds (distance) C4'-P energy: -46.076
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -21.568
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: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -912.328906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.328906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.328906 (E_RNA)
where:
Base-Base interactions energy: -648.343
where: short stacking energy: -259.941
Base-Backbone interact. energy: -0.951
local terms energy: -263.035258
where:
bonds (distance) C4'-P energy: -46.418
bonds (distance) P-C4' energy: -41.811
flat angles C4'-P-C4' energy: -53.741
flat angles P-C4'-P energy: -40.921
tors. eta vs tors. theta energy: -80.143
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: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -896.794635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.794635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.794635 (E_RNA)
where:
Base-Base interactions energy: -636.019
where: short stacking energy: -277.055
Base-Backbone interact. energy: -1.010
local terms energy: -259.766159
where:
bonds (distance) C4'-P energy: -45.403
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -53.506
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -80.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -881.030176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.030176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.030176 (E_RNA)
where:
Base-Base interactions energy: -616.535
where: short stacking energy: -262.364
Base-Backbone interact. energy: -0.055
local terms energy: -264.440599
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -47.988
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -76.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -772.360506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.360506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.360506 (E_RNA)
where:
Base-Base interactions energy: -531.633
where: short stacking energy: -232.247
Base-Backbone interact. energy: -0.283
local terms energy: -240.444648
where:
bonds (distance) C4'-P energy: -48.349
bonds (distance) P-C4' energy: -42.173
flat angles C4'-P-C4' energy: -51.474
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: -68.480
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: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -745.901775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.901775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.901775 (E_RNA)
where:
Base-Base interactions energy: -500.170
where: short stacking energy: -212.248
Base-Backbone interact. energy: -0.151
local terms energy: -245.580807
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -43.037
flat angles C4'-P-C4' energy: -47.390
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: -71.878
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: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -716.770532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.770532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.770532 (E_RNA)
where:
Base-Base interactions energy: -501.759
where: short stacking energy: -212.318
Base-Backbone interact. energy: -0.899
local terms energy: -214.112806
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -40.569
flat angles C4'-P-C4' energy: -46.597
flat angles P-C4'-P energy: -37.874
tors. eta vs tors. theta energy: -56.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -630.974506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.974506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.974506 (E_RNA)
where:
Base-Base interactions energy: -425.550
where: short stacking energy: -179.792
Base-Backbone interact. energy: -0.841
local terms energy: -204.582585
where:
bonds (distance) C4'-P energy: -46.940
bonds (distance) P-C4' energy: -35.832
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -25.374
tors. eta vs tors. theta energy: -50.777
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: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -400.606695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.606695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.606695 (E_RNA)
where:
Base-Base interactions energy: -252.966
where: short stacking energy: -104.683
Base-Backbone interact. energy: -1.575
local terms energy: -146.065746
where:
bonds (distance) C4'-P energy: -34.815
bonds (distance) P-C4' energy: -38.016
flat angles C4'-P-C4' energy: -36.868
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -211.740693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.740693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.740693 (E_RNA)
where:
Base-Base interactions energy: -73.392
where: short stacking energy: -61.549
Base-Backbone interact. energy: 3.137
local terms energy: -141.485810
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -46.518
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -196.416545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.416545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.416545 (E_RNA)
where:
Base-Base interactions energy: -72.964
where: short stacking energy: -56.144
Base-Backbone interact. energy: -1.006
local terms energy: -122.446279
where:
bonds (distance) C4'-P energy: -34.857
bonds (distance) P-C4' energy: -37.049
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -924.850608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.850608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.850608 (E_RNA)
where:
Base-Base interactions energy: -646.782
where: short stacking energy: -263.219
Base-Backbone interact. energy: -0.804
local terms energy: -277.264853
where:
bonds (distance) C4'-P energy: -43.466
bonds (distance) P-C4' energy: -50.809
flat angles C4'-P-C4' energy: -57.608
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -85.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -895.837307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.837307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.837307 (E_RNA)
where:
Base-Base interactions energy: -642.424
where: short stacking energy: -266.331
Base-Backbone interact. energy: -0.552
local terms energy: -252.861686
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -45.119
flat angles C4'-P-C4' energy: -49.937
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -83.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -891.059291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.059291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.059291 (E_RNA)
where:
Base-Base interactions energy: -629.117
where: short stacking energy: -263.185
Base-Backbone interact. energy: -0.302
local terms energy: -261.639927
where:
bonds (distance) C4'-P energy: -37.213
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -56.263
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -82.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -772.545632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.545632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.545632 (E_RNA)
where:
Base-Base interactions energy: -547.445
where: short stacking energy: -227.826
Base-Backbone interact. energy: 0.273
local terms energy: -225.374069
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -46.361
flat angles C4'-P-C4' energy: -42.102
flat angles P-C4'-P energy: -37.077
tors. eta vs tors. theta energy: -67.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -737.434031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.434031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.434031 (E_RNA)
where:
Base-Base interactions energy: -501.204
where: short stacking energy: -211.484
Base-Backbone interact. energy: -0.141
local terms energy: -236.088942
where:
bonds (distance) C4'-P energy: -43.632
bonds (distance) P-C4' energy: -39.491
flat angles C4'-P-C4' energy: -51.728
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: -66.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -692.788089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.788089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.788089 (E_RNA)
where:
Base-Base interactions energy: -459.380
where: short stacking energy: -207.980
Base-Backbone interact. energy: -0.317
local terms energy: -233.091533
where:
bonds (distance) C4'-P energy: -48.076
bonds (distance) P-C4' energy: -45.947
flat angles C4'-P-C4' energy: -50.659
flat angles P-C4'-P energy: -29.107
tors. eta vs tors. theta energy: -59.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -642.684241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.684241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.684241 (E_RNA)
where:
Base-Base interactions energy: -439.270
where: short stacking energy: -190.960
Base-Backbone interact. energy: -0.865
local terms energy: -202.549028
where:
bonds (distance) C4'-P energy: -36.540
bonds (distance) P-C4' energy: -35.172
flat angles C4'-P-C4' energy: -44.882
flat angles P-C4'-P energy: -34.218
tors. eta vs tors. theta energy: -51.737
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: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -402.861825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.861825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.861825 (E_RNA)
where:
Base-Base interactions energy: -260.737
where: short stacking energy: -114.408
Base-Backbone interact. energy: -0.413
local terms energy: -141.711884
where:
bonds (distance) C4'-P energy: -25.842
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -36.955
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -231.814315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.814315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.814315 (E_RNA)
where:
Base-Base interactions energy: -95.813
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.486
local terms energy: -135.514502
where:
bonds (distance) C4'-P energy: -47.462
bonds (distance) P-C4' energy: -43.169
flat angles C4'-P-C4' energy: -35.382
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: 8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -215.748334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.748334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.748334 (E_RNA)
where:
Base-Base interactions energy: -76.721
where: short stacking energy: -75.943
Base-Backbone interact. energy: -0.510
local terms energy: -138.517250
where:
bonds (distance) C4'-P energy: -32.691
bonds (distance) P-C4' energy: -33.439
flat angles C4'-P-C4' energy: -42.228
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -917.075420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.075420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.075420 (E_RNA)
where:
Base-Base interactions energy: -648.081
where: short stacking energy: -276.970
Base-Backbone interact. energy: -0.310
local terms energy: -268.684678
where:
bonds (distance) C4'-P energy: -41.452
bonds (distance) P-C4' energy: -51.546
flat angles C4'-P-C4' energy: -55.272
flat angles P-C4'-P energy: -36.998
tors. eta vs tors. theta energy: -83.417
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: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -903.255645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.255645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.255645 (E_RNA)
where:
Base-Base interactions energy: -636.633
where: short stacking energy: -268.767
Base-Backbone interact. energy: -0.450
local terms energy: -266.172732
where:
bonds (distance) C4'-P energy: -42.664
bonds (distance) P-C4' energy: -48.724
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -34.636
tors. eta vs tors. theta energy: -85.329
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: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -889.796418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.796418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.796418 (E_RNA)
where:
Base-Base interactions energy: -632.707
where: short stacking energy: -266.087
Base-Backbone interact. energy: -0.083
local terms energy: -257.006837
where:
bonds (distance) C4'-P energy: -45.411
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -51.174
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -79.481
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: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -760.203314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.203314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.203314 (E_RNA)
where:
Base-Base interactions energy: -522.796
where: short stacking energy: -219.280
Base-Backbone interact. energy: 0.690
local terms energy: -238.097638
where:
bonds (distance) C4'-P energy: -45.998
bonds (distance) P-C4' energy: -49.368
flat angles C4'-P-C4' energy: -42.218
flat angles P-C4'-P energy: -33.371
tors. eta vs tors. theta energy: -67.144
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: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -741.142089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.142089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.142089 (E_RNA)
where:
Base-Base interactions energy: -499.830
where: short stacking energy: -209.222
Base-Backbone interact. energy: -0.304
local terms energy: -241.008453
where:
bonds (distance) C4'-P energy: -50.920
bonds (distance) P-C4' energy: -42.075
flat angles C4'-P-C4' energy: -43.594
flat angles P-C4'-P energy: -36.109
tors. eta vs tors. theta energy: -68.310
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: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -697.404068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.404068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.404068 (E_RNA)
where:
Base-Base interactions energy: -456.735
where: short stacking energy: -186.581
Base-Backbone interact. energy: -0.460
local terms energy: -240.209960
where:
bonds (distance) C4'-P energy: -41.937
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -46.111
flat angles P-C4'-P energy: -41.610
tors. eta vs tors. theta energy: -61.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -626.937387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.937387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.937387 (E_RNA)
where:
Base-Base interactions energy: -424.649
where: short stacking energy: -194.463
Base-Backbone interact. energy: -1.397
local terms energy: -200.890616
where:
bonds (distance) C4'-P energy: -34.092
bonds (distance) P-C4' energy: -35.325
flat angles C4'-P-C4' energy: -47.396
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: -52.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -432.318598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.318598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.318598 (E_RNA)
where:
Base-Base interactions energy: -260.887
where: short stacking energy: -131.516
Base-Backbone interact. energy: -2.057
local terms energy: -169.375192
where:
bonds (distance) C4'-P energy: -39.047
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -29.018
tors. eta vs tors. theta energy: -23.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -214.420862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.420862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.420862 (E_RNA)
where:
Base-Base interactions energy: -85.742
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.592
local terms energy: -128.086397
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -25.422
tors. eta vs tors. theta energy: 3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -199.597847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.597847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.597847 (E_RNA)
where:
Base-Base interactions energy: -69.888
where: short stacking energy: -69.351
Base-Backbone interact. energy: 1.027
local terms energy: -130.736219
where:
bonds (distance) C4'-P energy: -31.849
bonds (distance) P-C4' energy: -43.574
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -924.327164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.327164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.327164 (E_RNA)
where:
Base-Base interactions energy: -652.401
where: short stacking energy: -268.272
Base-Backbone interact. energy: -0.003
local terms energy: -271.923070
where:
bonds (distance) C4'-P energy: -49.996
bonds (distance) P-C4' energy: -44.871
flat angles C4'-P-C4' energy: -56.267
flat angles P-C4'-P energy: -38.787
tors. eta vs tors. theta energy: -82.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -901.210168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.210168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.210168 (E_RNA)
where:
Base-Base interactions energy: -626.391
where: short stacking energy: -267.048
Base-Backbone interact. energy: -1.261
local terms energy: -273.558030
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -51.386
flat angles C4'-P-C4' energy: -53.622
flat angles P-C4'-P energy: -37.296
tors. eta vs tors. theta energy: -84.419
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: 467
Temperature: 1.000000
Total energy: -906.048181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.048181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.048181 (E_RNA)
where:
Base-Base interactions energy: -641.326
where: short stacking energy: -258.820
Base-Backbone interact. energy: 0.080
local terms energy: -264.802143
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -45.414
flat angles C4'-P-C4' energy: -55.883
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -84.457
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: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -766.475598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.475598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.475598 (E_RNA)
where:
Base-Base interactions energy: -541.208
where: short stacking energy: -227.468
Base-Backbone interact. energy: -0.352
local terms energy: -224.915905
where:
bonds (distance) C4'-P energy: -39.043
bonds (distance) P-C4' energy: -43.288
flat angles C4'-P-C4' energy: -43.607
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -65.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -723.635359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.635359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.635359 (E_RNA)
where:
Base-Base interactions energy: -497.982
where: short stacking energy: -194.634
Base-Backbone interact. energy: -0.772
local terms energy: -224.881295
where:
bonds (distance) C4'-P energy: -39.049
bonds (distance) P-C4' energy: -49.438
flat angles C4'-P-C4' energy: -49.419
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: -53.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -692.088554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.088554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.088554 (E_RNA)
where:
Base-Base interactions energy: -470.669
where: short stacking energy: -177.919
Base-Backbone interact. energy: 0.062
local terms energy: -221.482047
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -46.802
flat angles C4'-P-C4' energy: -51.367
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -56.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -615.542839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.542839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.542839 (E_RNA)
where:
Base-Base interactions energy: -421.915
where: short stacking energy: -194.253
Base-Backbone interact. energy: -0.729
local terms energy: -192.898702
where:
bonds (distance) C4'-P energy: -41.383
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -41.988
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -55.761
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: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -422.289709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.289709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.289709 (E_RNA)
where:
Base-Base interactions energy: -276.989
where: short stacking energy: -132.005
Base-Backbone interact. energy: 5.196
local terms energy: -150.496576
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -34.403
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -238.205858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.205858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.205858 (E_RNA)
where:
Base-Base interactions energy: -104.624
where: short stacking energy: -74.463
Base-Backbone interact. energy: 1.579
local terms energy: -135.160514
where:
bonds (distance) C4'-P energy: -35.373
bonds (distance) P-C4' energy: -45.061
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -19.349
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -207.857947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.857947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.857947 (E_RNA)
where:
Base-Base interactions energy: -68.217
where: short stacking energy: -57.691
Base-Backbone interact. energy: -1.245
local terms energy: -138.395352
where:
bonds (distance) C4'-P energy: -41.694
bonds (distance) P-C4' energy: -35.452
flat angles C4'-P-C4' energy: -39.185
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -914.553821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.553821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.553821 (E_RNA)
where:
Base-Base interactions energy: -648.800
where: short stacking energy: -270.964
Base-Backbone interact. energy: 0.695
local terms energy: -266.448421
where:
bonds (distance) C4'-P energy: -50.735
bonds (distance) P-C4' energy: -43.708
flat angles C4'-P-C4' energy: -50.216
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -79.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -883.566029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.566029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.566029 (E_RNA)
where:
Base-Base interactions energy: -625.291
where: short stacking energy: -271.522
Base-Backbone interact. energy: -0.508
local terms energy: -257.766976
where:
bonds (distance) C4'-P energy: -40.911
bonds (distance) P-C4' energy: -47.330
flat angles C4'-P-C4' energy: -56.908
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -79.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -883.573645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.573645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.573645 (E_RNA)
where:
Base-Base interactions energy: -622.810
where: short stacking energy: -268.225
Base-Backbone interact. energy: 0.307
local terms energy: -261.070168
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -56.027
flat angles P-C4'-P energy: -38.036
tors. eta vs tors. theta energy: -83.626
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: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -774.790503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.790503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.790503 (E_RNA)
where:
Base-Base interactions energy: -535.172
where: short stacking energy: -230.512
Base-Backbone interact. energy: -0.704
local terms energy: -238.914308
where:
bonds (distance) C4'-P energy: -38.240
bonds (distance) P-C4' energy: -51.170
flat angles C4'-P-C4' energy: -48.833
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -65.854
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: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -721.826543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.826543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.826543 (E_RNA)
where:
Base-Base interactions energy: -497.453
where: short stacking energy: -205.130
Base-Backbone interact. energy: -0.309
local terms energy: -224.064720
where:
bonds (distance) C4'-P energy: -51.894
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -47.563
flat angles P-C4'-P energy: -30.554
tors. eta vs tors. theta energy: -59.940
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: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -687.333906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.333906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.333906 (E_RNA)
where:
Base-Base interactions energy: -472.433
where: short stacking energy: -189.410
Base-Backbone interact. energy: -0.209
local terms energy: -214.691839
where:
bonds (distance) C4'-P energy: -43.108
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -48.501
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -56.641
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: 2
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -626.234413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.234413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.234413 (E_RNA)
where:
Base-Base interactions energy: -411.007
where: short stacking energy: -186.415
Base-Backbone interact. energy: 1.131
local terms energy: -216.358135
where:
bonds (distance) C4'-P energy: -37.876
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -47.048
flat angles P-C4'-P energy: -33.955
tors. eta vs tors. theta energy: -55.233
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: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -427.619793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.619793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.619793 (E_RNA)
where:
Base-Base interactions energy: -260.133
where: short stacking energy: -115.658
Base-Backbone interact. energy: -0.549
local terms energy: -166.937201
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -40.588
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -23.535
tors. eta vs tors. theta energy: -25.767
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: 468
Temperature: 1.300000
Total energy: -209.832138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.832138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.832138 (E_RNA)
where:
Base-Base interactions energy: -96.791
where: short stacking energy: -72.999
Base-Backbone interact. energy: 1.303
local terms energy: -114.343720
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -39.553
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: 5.465
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: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -205.235644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.235644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.235644 (E_RNA)
where:
Base-Base interactions energy: -80.074
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.178
local terms energy: -124.982754
where:
bonds (distance) C4'-P energy: -34.660
bonds (distance) P-C4' energy: -36.471
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -904.615366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.615366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.615366 (E_RNA)
where:
Base-Base interactions energy: -650.152
where: short stacking energy: -270.541
Base-Backbone interact. energy: -0.014
local terms energy: -254.449493
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -43.059
flat angles C4'-P-C4' energy: -54.129
flat angles P-C4'-P energy: -36.447
tors. eta vs tors. theta energy: -80.385
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: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -903.033122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.033122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.033122 (E_RNA)
where:
Base-Base interactions energy: -644.778
where: short stacking energy: -261.837
Base-Backbone interact. energy: -0.130
local terms energy: -258.125376
where:
bonds (distance) C4'-P energy: -41.248
bonds (distance) P-C4' energy: -46.376
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -81.068
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: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -883.376175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.376175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.376175 (E_RNA)
where:
Base-Base interactions energy: -613.947
where: short stacking energy: -257.397
Base-Backbone interact. energy: -0.464
local terms energy: -268.964986
where:
bonds (distance) C4'-P energy: -47.175
bonds (distance) P-C4' energy: -47.485
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: -82.118
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: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -769.345410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.345410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.345410 (E_RNA)
where:
Base-Base interactions energy: -535.464
where: short stacking energy: -216.637
Base-Backbone interact. energy: -0.797
local terms energy: -233.084300
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -44.785
flat angles C4'-P-C4' energy: -48.982
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -61.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -720.933994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.933994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.933994 (E_RNA)
where:
Base-Base interactions energy: -491.859
where: short stacking energy: -212.744
Base-Backbone interact. energy: -1.540
local terms energy: -227.535416
where:
bonds (distance) C4'-P energy: -42.429
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -47.025
flat angles P-C4'-P energy: -27.875
tors. eta vs tors. theta energy: -62.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -674.849612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.849612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.849612 (E_RNA)
where:
Base-Base interactions energy: -458.227
where: short stacking energy: -195.409
Base-Backbone interact. energy: -0.267
local terms energy: -216.354815
where:
bonds (distance) C4'-P energy: -47.010
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -46.968
flat angles P-C4'-P energy: -23.365
tors. eta vs tors. theta energy: -55.053
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: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -631.495089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.495089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.495089 (E_RNA)
where:
Base-Base interactions energy: -424.840
where: short stacking energy: -190.227
Base-Backbone interact. energy: 0.793
local terms energy: -207.447994
where:
bonds (distance) C4'-P energy: -39.412
bonds (distance) P-C4' energy: -43.765
flat angles C4'-P-C4' energy: -45.288
flat angles P-C4'-P energy: -30.529
tors. eta vs tors. theta energy: -48.454
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: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -467.299222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.299222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.299222 (E_RNA)
where:
Base-Base interactions energy: -301.041
where: short stacking energy: -133.857
Base-Backbone interact. energy: -1.013
local terms energy: -165.245071
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -42.467
flat angles C4'-P-C4' energy: -33.343
flat angles P-C4'-P energy: -30.032
tors. eta vs tors. theta energy: -30.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -222.486727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.486727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.486727 (E_RNA)
where:
Base-Base interactions energy: -71.573
where: short stacking energy: -62.188
Base-Backbone interact. energy: -0.776
local terms energy: -150.137715
where:
bonds (distance) C4'-P energy: -47.606
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -211.551995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.551995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.551995 (E_RNA)
where:
Base-Base interactions energy: -80.844
where: short stacking energy: -76.749
Base-Backbone interact. energy: -0.656
local terms energy: -130.052280
where:
bonds (distance) C4'-P energy: -33.832
bonds (distance) P-C4' energy: -39.661
flat angles C4'-P-C4' energy: -38.657
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -8.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -914.637209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.637209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.637209 (E_RNA)
where:
Base-Base interactions energy: -640.788
where: short stacking energy: -268.108
Base-Backbone interact. energy: -0.714
local terms energy: -273.135303
where:
bonds (distance) C4'-P energy: -46.753
bonds (distance) P-C4' energy: -47.107
flat angles C4'-P-C4' energy: -54.847
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -81.819
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: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -905.290493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.290493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.290493 (E_RNA)
where:
Base-Base interactions energy: -637.232
where: short stacking energy: -266.050
Base-Backbone interact. energy: 0.682
local terms energy: -268.740486
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -51.759
flat angles C4'-P-C4' energy: -52.609
flat angles P-C4'-P energy: -40.303
tors. eta vs tors. theta energy: -83.101
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: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -881.985163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.985163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.985163 (E_RNA)
where:
Base-Base interactions energy: -635.428
where: short stacking energy: -263.178
Base-Backbone interact. energy: -0.540
local terms energy: -246.017216
where:
bonds (distance) C4'-P energy: -36.742
bonds (distance) P-C4' energy: -48.435
flat angles C4'-P-C4' energy: -49.360
flat angles P-C4'-P energy: -30.291
tors. eta vs tors. theta energy: -81.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -778.110868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.110868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.110868 (E_RNA)
where:
Base-Base interactions energy: -533.767
where: short stacking energy: -228.421
Base-Backbone interact. energy: 3.342
local terms energy: -247.685458
where:
bonds (distance) C4'-P energy: -44.710
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -54.626
flat angles P-C4'-P energy: -35.224
tors. eta vs tors. theta energy: -66.817
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: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -729.366104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.366104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.366104 (E_RNA)
where:
Base-Base interactions energy: -498.691
where: short stacking energy: -209.042
Base-Backbone interact. energy: -0.724
local terms energy: -229.951181
where:
bonds (distance) C4'-P energy: -47.415
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -44.700
flat angles P-C4'-P energy: -35.658
tors. eta vs tors. theta energy: -62.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -702.922619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.922619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.922619 (E_RNA)
where:
Base-Base interactions energy: -481.770
where: short stacking energy: -201.476
Base-Backbone interact. energy: 0.890
local terms energy: -222.042030
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -44.986
flat angles C4'-P-C4' energy: -45.884
flat angles P-C4'-P energy: -33.875
tors. eta vs tors. theta energy: -58.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -624.326187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.326187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.326187 (E_RNA)
where:
Base-Base interactions energy: -423.016
where: short stacking energy: -191.783
Base-Backbone interact. energy: -0.248
local terms energy: -201.062930
where:
bonds (distance) C4'-P energy: -35.755
bonds (distance) P-C4' energy: -33.184
flat angles C4'-P-C4' energy: -40.843
flat angles P-C4'-P energy: -31.807
tors. eta vs tors. theta energy: -59.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -484.075559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.075559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.075559 (E_RNA)
where:
Base-Base interactions energy: -309.563
where: short stacking energy: -137.302
Base-Backbone interact. energy: -0.546
local terms energy: -173.966232
where:
bonds (distance) C4'-P energy: -34.156
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -36.156
tors. eta vs tors. theta energy: -30.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -212.507426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.507426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.507426 (E_RNA)
where:
Base-Base interactions energy: -78.935
where: short stacking energy: -64.198
Base-Backbone interact. energy: -1.534
local terms energy: -132.038187
where:
bonds (distance) C4'-P energy: -44.452
bonds (distance) P-C4' energy: -41.996
flat angles C4'-P-C4' energy: -28.894
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -201.301260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.301260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.301260 (E_RNA)
where:
Base-Base interactions energy: -61.199
where: short stacking energy: -55.113
Base-Backbone interact. energy: -1.405
local terms energy: -138.697350
where:
bonds (distance) C4'-P energy: -35.848
bonds (distance) P-C4' energy: -45.195
flat angles C4'-P-C4' energy: -39.024
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: 3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -894.252354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.252354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.252354 (E_RNA)
where:
Base-Base interactions energy: -644.131
where: short stacking energy: -279.652
Base-Backbone interact. energy: -0.149
local terms energy: -249.972377
where:
bonds (distance) C4'-P energy: -42.269
bonds (distance) P-C4' energy: -40.770
flat angles C4'-P-C4' energy: -48.986
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -78.156
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: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -897.678120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.678120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.678120 (E_RNA)
where:
Base-Base interactions energy: -629.137
where: short stacking energy: -274.501
Base-Backbone interact. energy: -0.229
local terms energy: -268.311954
where:
bonds (distance) C4'-P energy: -42.564
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -58.190
flat angles P-C4'-P energy: -37.296
tors. eta vs tors. theta energy: -85.171
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: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -880.862069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.862069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.862069 (E_RNA)
where:
Base-Base interactions energy: -632.208
where: short stacking energy: -275.611
Base-Backbone interact. energy: -0.406
local terms energy: -248.248488
where:
bonds (distance) C4'-P energy: -42.663
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -48.612
flat angles P-C4'-P energy: -36.547
tors. eta vs tors. theta energy: -81.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -721.797139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.797139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.797139 (E_RNA)
where:
Base-Base interactions energy: -490.221
where: short stacking energy: -205.388
Base-Backbone interact. energy: -0.313
local terms energy: -231.263263
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -42.377
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -35.936
tors. eta vs tors. theta energy: -53.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -765.360964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.360964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.360964 (E_RNA)
where:
Base-Base interactions energy: -519.000
where: short stacking energy: -223.890
Base-Backbone interact. energy: -0.008
local terms energy: -246.352268
where:
bonds (distance) C4'-P energy: -49.035
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -73.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -695.019786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.019786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.019786 (E_RNA)
where:
Base-Base interactions energy: -461.189
where: short stacking energy: -205.090
Base-Backbone interact. energy: -0.732
local terms energy: -233.098535
where:
bonds (distance) C4'-P energy: -51.761
bonds (distance) P-C4' energy: -44.124
flat angles C4'-P-C4' energy: -48.706
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -66.430
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: 7, replica: 2
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -609.853205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.853205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.853205 (E_RNA)
where:
Base-Base interactions energy: -418.057
where: short stacking energy: -195.585
Base-Backbone interact. energy: 0.973
local terms energy: -192.769291
where:
bonds (distance) C4'-P energy: -35.992
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -37.839
flat angles P-C4'-P energy: -25.522
tors. eta vs tors. theta energy: -58.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -484.153122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.153122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.153122 (E_RNA)
where:
Base-Base interactions energy: -309.909
where: short stacking energy: -130.802
Base-Backbone interact. energy: 2.353
local terms energy: -176.597505
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -33.782
flat angles P-C4'-P energy: -25.996
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: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -213.747292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.747292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.747292 (E_RNA)
where:
Base-Base interactions energy: -86.241
where: short stacking energy: -53.928
Base-Backbone interact. energy: 1.977
local terms energy: -129.483700
where:
bonds (distance) C4'-P energy: -33.643
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -41.371
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: 9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -207.255333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.255333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.255333 (E_RNA)
where:
Base-Base interactions energy: -69.467
where: short stacking energy: -52.770
Base-Backbone interact. energy: -1.064
local terms energy: -136.724689
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -42.115
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -26.403
tors. eta vs tors. theta energy: 2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -900.654486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.654486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.654486 (E_RNA)
where:
Base-Base interactions energy: -639.289
where: short stacking energy: -275.264
Base-Backbone interact. energy: -0.928
local terms energy: -260.436692
where:
bonds (distance) C4'-P energy: -38.928
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -57.633
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -84.272
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: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -887.488310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.488310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.488310 (E_RNA)
where:
Base-Base interactions energy: -623.922
where: short stacking energy: -251.949
Base-Backbone interact. energy: -1.273
local terms energy: -262.293574
where:
bonds (distance) C4'-P energy: -42.679
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -53.266
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -81.725
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: 472
Temperature: 1.000000
Total energy: -875.555905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.555905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.555905 (E_RNA)
where:
Base-Base interactions energy: -613.998
where: short stacking energy: -266.473
Base-Backbone interact. energy: 1.126
local terms energy: -262.683995
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -37.854
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -38.553
tors. eta vs tors. theta energy: -83.856
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: 472
Temperature: 1.050000
Total energy: -722.607477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.607477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.607477 (E_RNA)
where:
Base-Base interactions energy: -493.339
where: short stacking energy: -194.608
Base-Backbone interact. energy: -0.591
local terms energy: -228.677028
where:
bonds (distance) C4'-P energy: -44.484
bonds (distance) P-C4' energy: -48.606
flat angles C4'-P-C4' energy: -44.256
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: -59.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -710.748307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.748307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.748307 (E_RNA)
where:
Base-Base interactions energy: -472.153
where: short stacking energy: -209.277
Base-Backbone interact. energy: 0.134
local terms energy: -238.729687
where:
bonds (distance) C4'-P energy: -47.198
bonds (distance) P-C4' energy: -43.751
flat angles C4'-P-C4' energy: -51.043
flat angles P-C4'-P energy: -33.020
tors. eta vs tors. theta energy: -63.718
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: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -731.124846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.124846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.124846 (E_RNA)
where:
Base-Base interactions energy: -513.938
where: short stacking energy: -217.770
Base-Backbone interact. energy: -0.952
local terms energy: -216.234835
where:
bonds (distance) C4'-P energy: -38.909
bonds (distance) P-C4' energy: -37.019
flat angles C4'-P-C4' energy: -49.106
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -62.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -607.246891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.246891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.246891 (E_RNA)
where:
Base-Base interactions energy: -405.863
where: short stacking energy: -163.945
Base-Backbone interact. energy: -0.559
local terms energy: -200.824853
where:
bonds (distance) C4'-P energy: -46.306
bonds (distance) P-C4' energy: -40.924
flat angles C4'-P-C4' energy: -44.052
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -53.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -495.387045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.387045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.387045 (E_RNA)
where:
Base-Base interactions energy: -311.652
where: short stacking energy: -138.964
Base-Backbone interact. energy: -1.022
local terms energy: -182.712875
where:
bonds (distance) C4'-P energy: -50.694
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -38.957
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -36.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -222.398941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.398941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.398941 (E_RNA)
where:
Base-Base interactions energy: -87.090
where: short stacking energy: -83.676
Base-Backbone interact. energy: 0.222
local terms energy: -135.530619
where:
bonds (distance) C4'-P energy: -45.190
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -32.233
flat angles P-C4'-P energy: -20.101
tors. eta vs tors. theta energy: 3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -201.310431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.310431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.310431 (E_RNA)
where:
Base-Base interactions energy: -66.518
where: short stacking energy: -60.897
Base-Backbone interact. energy: 1.069
local terms energy: -135.861294
where:
bonds (distance) C4'-P energy: -43.991
bonds (distance) P-C4' energy: -45.661
flat angles C4'-P-C4' energy: -37.642
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: 5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -902.195481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.195481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.195481 (E_RNA)
where:
Base-Base interactions energy: -635.301
where: short stacking energy: -271.444
Base-Backbone interact. energy: 0.278
local terms energy: -267.171672
where:
bonds (distance) C4'-P energy: -41.875
bonds (distance) P-C4' energy: -48.027
flat angles C4'-P-C4' energy: -51.663
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -87.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -874.346618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.346618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.346618 (E_RNA)
where:
Base-Base interactions energy: -618.247
where: short stacking energy: -261.619
Base-Backbone interact. energy: -0.059
local terms energy: -256.040798
where:
bonds (distance) C4'-P energy: -48.315
bonds (distance) P-C4' energy: -41.185
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -37.720
tors. eta vs tors. theta energy: -78.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -893.650675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.650675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.650675 (E_RNA)
where:
Base-Base interactions energy: -620.687
where: short stacking energy: -263.401
Base-Backbone interact. energy: -0.672
local terms energy: -272.292234
where:
bonds (distance) C4'-P energy: -52.319
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -55.915
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: -82.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -738.463678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.463678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.463678 (E_RNA)
where:
Base-Base interactions energy: -521.923
where: short stacking energy: -222.052
Base-Backbone interact. energy: -0.190
local terms energy: -216.351279
where:
bonds (distance) C4'-P energy: -37.318
bonds (distance) P-C4' energy: -37.044
flat angles C4'-P-C4' energy: -49.243
flat angles P-C4'-P energy: -29.465
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -690.280127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.280127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.280127 (E_RNA)
where:
Base-Base interactions energy: -462.188
where: short stacking energy: -197.673
Base-Backbone interact. energy: -1.094
local terms energy: -226.998020
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -41.478
flat angles C4'-P-C4' energy: -48.236
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: -54.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -729.488310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.488310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.488310 (E_RNA)
where:
Base-Base interactions energy: -500.427
where: short stacking energy: -235.292
Base-Backbone interact. energy: -1.238
local terms energy: -227.823113
where:
bonds (distance) C4'-P energy: -41.786
bonds (distance) P-C4' energy: -42.769
flat angles C4'-P-C4' energy: -43.470
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -67.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -590.338712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.338712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.338712 (E_RNA)
where:
Base-Base interactions energy: -385.646
where: short stacking energy: -173.623
Base-Backbone interact. energy: -2.029
local terms energy: -202.663199
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -29.234
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -25.576
tors. eta vs tors. theta energy: -58.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -463.504656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.504656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.504656 (E_RNA)
where:
Base-Base interactions energy: -296.102
where: short stacking energy: -131.809
Base-Backbone interact. energy: -0.856
local terms energy: -166.546027
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -45.055
flat angles C4'-P-C4' energy: -35.442
flat angles P-C4'-P energy: -25.017
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -233.140458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.140458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.140458 (E_RNA)
where:
Base-Base interactions energy: -88.979
where: short stacking energy: -68.124
Base-Backbone interact. energy: 0.829
local terms energy: -144.990406
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -34.493
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -26.391
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -220.160436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.160436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.160436 (E_RNA)
where:
Base-Base interactions energy: -84.696
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.620
local terms energy: -134.845305
where:
bonds (distance) C4'-P energy: -38.407
bonds (distance) P-C4' energy: -46.193
flat angles C4'-P-C4' energy: -30.245
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: 4.581
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: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -903.934853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.934853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.934853 (E_RNA)
where:
Base-Base interactions energy: -634.672
where: short stacking energy: -271.338
Base-Backbone interact. energy: 0.705
local terms energy: -269.967964
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -48.589
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -38.517
tors. eta vs tors. theta energy: -79.795
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: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -884.186779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.186779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.186779 (E_RNA)
where:
Base-Base interactions energy: -621.151
where: short stacking energy: -258.743
Base-Backbone interact. energy: -0.697
local terms energy: -262.338863
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -52.953
flat angles P-C4'-P energy: -33.891
tors. eta vs tors. theta energy: -79.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -861.711924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.711924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.711924 (E_RNA)
where:
Base-Base interactions energy: -607.221
where: short stacking energy: -263.845
Base-Backbone interact. energy: -0.045
local terms energy: -254.445400
where:
bonds (distance) C4'-P energy: -41.072
bonds (distance) P-C4' energy: -39.336
flat angles C4'-P-C4' energy: -50.930
flat angles P-C4'-P energy: -42.600
tors. eta vs tors. theta energy: -80.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -729.512323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.512323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.512323 (E_RNA)
where:
Base-Base interactions energy: -500.360
where: short stacking energy: -203.312
Base-Backbone interact. energy: 1.244
local terms energy: -230.396052
where:
bonds (distance) C4'-P energy: -45.363
bonds (distance) P-C4' energy: -34.137
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -58.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -772.327633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.327633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.327633 (E_RNA)
where:
Base-Base interactions energy: -539.884
where: short stacking energy: -232.855
Base-Backbone interact. energy: -1.241
local terms energy: -231.202468
where:
bonds (distance) C4'-P energy: -35.980
bonds (distance) P-C4' energy: -38.537
flat angles C4'-P-C4' energy: -49.810
flat angles P-C4'-P energy: -29.967
tors. eta vs tors. theta energy: -76.907
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: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -698.148776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.148776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.148776 (E_RNA)
where:
Base-Base interactions energy: -467.059
where: short stacking energy: -208.291
Base-Backbone interact. energy: -1.162
local terms energy: -229.928133
where:
bonds (distance) C4'-P energy: -39.981
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -47.301
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -66.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -569.349982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.349982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.349982 (E_RNA)
where:
Base-Base interactions energy: -359.916
where: short stacking energy: -165.574
Base-Backbone interact. energy: 0.352
local terms energy: -209.786808
where:
bonds (distance) C4'-P energy: -48.834
bonds (distance) P-C4' energy: -41.762
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -32.130
tors. eta vs tors. theta energy: -48.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -473.354431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.354431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.354431 (E_RNA)
where:
Base-Base interactions energy: -295.158
where: short stacking energy: -119.168
Base-Backbone interact. energy: 2.558
local terms energy: -180.754387
where:
bonds (distance) C4'-P energy: -41.358
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -39.069
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: -26.606
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: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -224.593503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.593503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.593503 (E_RNA)
where:
Base-Base interactions energy: -77.932
where: short stacking energy: -67.507
Base-Backbone interact. energy: -0.676
local terms energy: -145.985187
where:
bonds (distance) C4'-P energy: -35.256
bonds (distance) P-C4' energy: -40.483
flat angles C4'-P-C4' energy: -45.000
flat angles P-C4'-P energy: -27.183
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -210.743171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.743171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.743171 (E_RNA)
where:
Base-Base interactions energy: -83.619
where: short stacking energy: -72.408
Base-Backbone interact. energy: 0.019
local terms energy: -127.143927
where:
bonds (distance) C4'-P energy: -32.371
bonds (distance) P-C4' energy: -39.294
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -900.598584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.598584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.598584 (E_RNA)
where:
Base-Base interactions energy: -628.663
where: short stacking energy: -262.984
Base-Backbone interact. energy: -0.094
local terms energy: -271.841847
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -50.884
flat angles C4'-P-C4' energy: -52.952
flat angles P-C4'-P energy: -40.489
tors. eta vs tors. theta energy: -82.060
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: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -902.083109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.083109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.083109 (E_RNA)
where:
Base-Base interactions energy: -646.560
where: short stacking energy: -271.516
Base-Backbone interact. energy: -0.834
local terms energy: -254.689045
where:
bonds (distance) C4'-P energy: -43.531
bonds (distance) P-C4' energy: -40.412
flat angles C4'-P-C4' energy: -53.879
flat angles P-C4'-P energy: -37.138
tors. eta vs tors. theta energy: -79.729
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: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -866.148774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.148774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.148774 (E_RNA)
where:
Base-Base interactions energy: -619.951
where: short stacking energy: -255.661
Base-Backbone interact. energy: -0.089
local terms energy: -246.108274
where:
bonds (distance) C4'-P energy: -37.010
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -47.648
flat angles P-C4'-P energy: -39.948
tors. eta vs tors. theta energy: -80.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -785.832972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.832972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.832972 (E_RNA)
where:
Base-Base interactions energy: -540.579
where: short stacking energy: -240.318
Base-Backbone interact. energy: -0.817
local terms energy: -244.437340
where:
bonds (distance) C4'-P energy: -42.001
bonds (distance) P-C4' energy: -43.517
flat angles C4'-P-C4' energy: -53.070
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -73.516
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: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -735.336436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.336436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.336436 (E_RNA)
where:
Base-Base interactions energy: -491.909
where: short stacking energy: -202.641
Base-Backbone interact. energy: -0.647
local terms energy: -242.780520
where:
bonds (distance) C4'-P energy: -47.872
bonds (distance) P-C4' energy: -50.656
flat angles C4'-P-C4' energy: -47.278
flat angles P-C4'-P energy: -36.676
tors. eta vs tors. theta energy: -60.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -718.306783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.306783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.306783 (E_RNA)
where:
Base-Base interactions energy: -485.768
where: short stacking energy: -211.311
Base-Backbone interact. energy: -0.347
local terms energy: -232.191521
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -55.593
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -72.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -580.090994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.090994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.090994 (E_RNA)
where:
Base-Base interactions energy: -377.841
where: short stacking energy: -172.618
Base-Backbone interact. energy: -2.797
local terms energy: -199.452354
where:
bonds (distance) C4'-P energy: -32.741
bonds (distance) P-C4' energy: -42.645
flat angles C4'-P-C4' energy: -49.307
flat angles P-C4'-P energy: -29.491
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: 8, replica: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -459.299329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.299329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.299329 (E_RNA)
where:
Base-Base interactions energy: -277.840
where: short stacking energy: -129.722
Base-Backbone interact. energy: -1.099
local terms energy: -180.360640
where:
bonds (distance) C4'-P energy: -35.229
bonds (distance) P-C4' energy: -39.075
flat angles C4'-P-C4' energy: -39.860
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -39.226
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: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -214.563243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.563243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.563243 (E_RNA)
where:
Base-Base interactions energy: -77.550
where: short stacking energy: -66.485
Base-Backbone interact. energy: 1.307
local terms energy: -138.319546
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -41.297
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: 3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -198.817092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.817092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.817092 (E_RNA)
where:
Base-Base interactions energy: -70.869
where: short stacking energy: -60.387
Base-Backbone interact. energy: 1.217
local terms energy: -129.165081
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -48.714
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -903.458674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.458674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.458674 (E_RNA)
where:
Base-Base interactions energy: -635.703
where: short stacking energy: -267.423
Base-Backbone interact. energy: -0.291
local terms energy: -267.464526
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -52.577
flat angles P-C4'-P energy: -38.216
tors. eta vs tors. theta energy: -82.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -881.092306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.092306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.092306 (E_RNA)
where:
Base-Base interactions energy: -627.831
where: short stacking energy: -265.107
Base-Backbone interact. energy: -0.059
local terms energy: -253.202642
where:
bonds (distance) C4'-P energy: -36.908
bonds (distance) P-C4' energy: -49.085
flat angles C4'-P-C4' energy: -51.448
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -79.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -867.884584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.884584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.884584 (E_RNA)
where:
Base-Base interactions energy: -612.647
where: short stacking energy: -248.605
Base-Backbone interact. energy: -1.029
local terms energy: -254.208460
where:
bonds (distance) C4'-P energy: -41.702
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -52.302
flat angles P-C4'-P energy: -37.813
tors. eta vs tors. theta energy: -76.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -781.281132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.281132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.281132 (E_RNA)
where:
Base-Base interactions energy: -541.567
where: short stacking energy: -231.458
Base-Backbone interact. energy: -0.676
local terms energy: -239.038335
where:
bonds (distance) C4'-P energy: -38.810
bonds (distance) P-C4' energy: -45.285
flat angles C4'-P-C4' energy: -51.292
flat angles P-C4'-P energy: -31.481
tors. eta vs tors. theta energy: -72.170
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: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -716.614809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.614809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.614809 (E_RNA)
where:
Base-Base interactions energy: -505.560
where: short stacking energy: -210.331
Base-Backbone interact. energy: 0.376
local terms energy: -211.430362
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -46.953
flat angles P-C4'-P energy: -31.411
tors. eta vs tors. theta energy: -60.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -697.463953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.463953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.463953 (E_RNA)
where:
Base-Base interactions energy: -486.394
where: short stacking energy: -187.633
Base-Backbone interact. energy: -0.365
local terms energy: -210.705672
where:
bonds (distance) C4'-P energy: -45.278
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -49.980
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: -57.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -622.090216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.090216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.090216 (E_RNA)
where:
Base-Base interactions energy: -409.663
where: short stacking energy: -190.988
Base-Backbone interact. energy: 0.213
local terms energy: -212.639580
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -46.211
flat angles C4'-P-C4' energy: -46.739
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: -54.204
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: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -429.309853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.309853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.309853 (E_RNA)
where:
Base-Base interactions energy: -265.121
where: short stacking energy: -132.319
Base-Backbone interact. energy: -1.732
local terms energy: -162.456551
where:
bonds (distance) C4'-P energy: -44.537
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -42.295
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -211.485127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.485127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.485127 (E_RNA)
where:
Base-Base interactions energy: -66.323
where: short stacking energy: -61.292
Base-Backbone interact. energy: 1.838
local terms energy: -147.000994
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -32.065
tors. eta vs tors. theta energy: 8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -214.417217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.417217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.417217 (E_RNA)
where:
Base-Base interactions energy: -90.884
where: short stacking energy: -70.569
Base-Backbone interact. energy: -1.020
local terms energy: -122.513507
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -37.083
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: 8.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -917.458440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.458440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.458440 (E_RNA)
where:
Base-Base interactions energy: -643.607
where: short stacking energy: -274.640
Base-Backbone interact. energy: -0.806
local terms energy: -273.045088
where:
bonds (distance) C4'-P energy: -38.401
bonds (distance) P-C4' energy: -54.456
flat angles C4'-P-C4' energy: -51.251
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -84.697
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: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -892.492770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.492770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.492770 (E_RNA)
where:
Base-Base interactions energy: -627.339
where: short stacking energy: -263.436
Base-Backbone interact. energy: -0.006
local terms energy: -265.147447
where:
bonds (distance) C4'-P energy: -45.548
bonds (distance) P-C4' energy: -42.645
flat angles C4'-P-C4' energy: -54.040
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -82.944
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: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -884.514809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.514809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.514809 (E_RNA)
where:
Base-Base interactions energy: -627.284
where: short stacking energy: -262.588
Base-Backbone interact. energy: -0.413
local terms energy: -256.817562
where:
bonds (distance) C4'-P energy: -43.655
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -53.108
flat angles P-C4'-P energy: -38.344
tors. eta vs tors. theta energy: -81.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -788.089673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.089673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.089673 (E_RNA)
where:
Base-Base interactions energy: -552.646
where: short stacking energy: -240.497
Base-Backbone interact. energy: -1.176
local terms energy: -234.267231
where:
bonds (distance) C4'-P energy: -42.572
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -30.211
tors. eta vs tors. theta energy: -72.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -717.821080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.821080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.821080 (E_RNA)
where:
Base-Base interactions energy: -498.899
where: short stacking energy: -193.203
Base-Backbone interact. energy: -0.240
local terms energy: -218.681989
where:
bonds (distance) C4'-P energy: -49.055
bonds (distance) P-C4' energy: -40.883
flat angles C4'-P-C4' energy: -45.558
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -52.717
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: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -709.084368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.084368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.084368 (E_RNA)
where:
Base-Base interactions energy: -477.810
where: short stacking energy: -207.940
Base-Backbone interact. energy: -0.361
local terms energy: -230.913487
where:
bonds (distance) C4'-P energy: -46.570
bonds (distance) P-C4' energy: -35.006
flat angles C4'-P-C4' energy: -53.058
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -66.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -623.842742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.842742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.842742 (E_RNA)
where:
Base-Base interactions energy: -401.404
where: short stacking energy: -181.924
Base-Backbone interact. energy: -0.158
local terms energy: -222.280671
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -40.822
flat angles C4'-P-C4' energy: -42.460
flat angles P-C4'-P energy: -34.114
tors. eta vs tors. theta energy: -56.970
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: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -464.412796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.412796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.412796 (E_RNA)
where:
Base-Base interactions energy: -305.897
where: short stacking energy: -152.039
Base-Backbone interact. energy: -1.087
local terms energy: -157.428395
where:
bonds (distance) C4'-P energy: -37.345
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -45.596
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -27.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -258.416067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.416067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.416067 (E_RNA)
where:
Base-Base interactions energy: -109.397
where: short stacking energy: -81.472
Base-Backbone interact. energy: -0.259
local terms energy: -148.759565
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -42.673
flat angles C4'-P-C4' energy: -39.707
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -220.357472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.357472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.357472 (E_RNA)
where:
Base-Base interactions energy: -92.370
where: short stacking energy: -55.830
Base-Backbone interact. energy: -1.658
local terms energy: -126.329002
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -39.239
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: 15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -897.623123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.623123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.623123 (E_RNA)
where:
Base-Base interactions energy: -637.485
where: short stacking energy: -276.622
Base-Backbone interact. energy: -0.109
local terms energy: -260.028568
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -36.258
flat angles C4'-P-C4' energy: -51.627
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -83.539
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: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -894.257994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.257994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.257994 (E_RNA)
where:
Base-Base interactions energy: -637.735
where: short stacking energy: -269.940
Base-Backbone interact. energy: -0.434
local terms energy: -256.088633
where:
bonds (distance) C4'-P energy: -43.885
bonds (distance) P-C4' energy: -41.872
flat angles C4'-P-C4' energy: -52.491
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -81.650
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: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -896.382874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.382874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.382874 (E_RNA)
where:
Base-Base interactions energy: -648.985
where: short stacking energy: -280.118
Base-Backbone interact. energy: -0.411
local terms energy: -246.986482
where:
bonds (distance) C4'-P energy: -44.736
bonds (distance) P-C4' energy: -40.129
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -82.210
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: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -784.738857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.738857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.738857 (E_RNA)
where:
Base-Base interactions energy: -534.005
where: short stacking energy: -234.558
Base-Backbone interact. energy: -1.690
local terms energy: -249.043245
where:
bonds (distance) C4'-P energy: -40.216
bonds (distance) P-C4' energy: -48.764
flat angles C4'-P-C4' energy: -47.214
flat angles P-C4'-P energy: -39.008
tors. eta vs tors. theta energy: -73.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -734.106349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.106349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.106349 (E_RNA)
where:
Base-Base interactions energy: -507.267
where: short stacking energy: -223.422
Base-Backbone interact. energy: -0.853
local terms energy: -225.986276
where:
bonds (distance) C4'-P energy: -39.932
bonds (distance) P-C4' energy: -45.220
flat angles C4'-P-C4' energy: -48.770
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -68.381
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: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -690.691588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.691588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.691588 (E_RNA)
where:
Base-Base interactions energy: -479.680
where: short stacking energy: -198.954
Base-Backbone interact. energy: -0.644
local terms energy: -210.367601
where:
bonds (distance) C4'-P energy: -43.539
bonds (distance) P-C4' energy: -34.986
flat angles C4'-P-C4' energy: -49.537
flat angles P-C4'-P energy: -28.787
tors. eta vs tors. theta energy: -53.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -602.136896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.136896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.136896 (E_RNA)
where:
Base-Base interactions energy: -415.812
where: short stacking energy: -173.308
Base-Backbone interact. energy: -1.555
local terms energy: -184.769192
where:
bonds (distance) C4'-P energy: -35.299
bonds (distance) P-C4' energy: -34.715
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -48.367
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: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -423.599845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.599845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.599845 (E_RNA)
where:
Base-Base interactions energy: -252.129
where: short stacking energy: -119.703
Base-Backbone interact. energy: -1.318
local terms energy: -170.153115
where:
bonds (distance) C4'-P energy: -37.820
bonds (distance) P-C4' energy: -35.802
flat angles C4'-P-C4' energy: -39.864
flat angles P-C4'-P energy: -32.184
tors. eta vs tors. theta energy: -24.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -226.519125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.519125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.519125 (E_RNA)
where:
Base-Base interactions energy: -73.817
where: short stacking energy: -60.263
Base-Backbone interact. energy: 0.840
local terms energy: -153.542198
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -41.162
flat angles C4'-P-C4' energy: -44.107
flat angles P-C4'-P energy: -24.446
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -196.589138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.589138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.589138 (E_RNA)
where:
Base-Base interactions energy: -90.427
where: short stacking energy: -77.567
Base-Backbone interact. energy: 1.679
local terms energy: -107.841787
where:
bonds (distance) C4'-P energy: -30.806
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -33.601
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -913.937497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.937497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.937497 (E_RNA)
where:
Base-Base interactions energy: -642.135
where: short stacking energy: -279.769
Base-Backbone interact. energy: -0.353
local terms energy: -271.449264
where:
bonds (distance) C4'-P energy: -42.959
bonds (distance) P-C4' energy: -43.142
flat angles C4'-P-C4' energy: -59.089
flat angles P-C4'-P energy: -41.672
tors. eta vs tors. theta energy: -84.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -896.897040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.897040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.897040 (E_RNA)
where:
Base-Base interactions energy: -635.816
where: short stacking energy: -270.849
Base-Backbone interact. energy: 0.841
local terms energy: -261.922682
where:
bonds (distance) C4'-P energy: -45.538
bonds (distance) P-C4' energy: -47.297
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -35.656
tors. eta vs tors. theta energy: -80.376
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: 479
Temperature: 1.000000
Total energy: -874.711036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.711036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.711036 (E_RNA)
where:
Base-Base interactions energy: -625.023
where: short stacking energy: -267.177
Base-Backbone interact. energy: -0.559
local terms energy: -249.129748
where:
bonds (distance) C4'-P energy: -37.512
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -52.071
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -80.619
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -749.682329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.682329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.682329 (E_RNA)
where:
Base-Base interactions energy: -503.122
where: short stacking energy: -211.293
Base-Backbone interact. energy: 0.404
local terms energy: -246.964857
where:
bonds (distance) C4'-P energy: -44.980
bonds (distance) P-C4' energy: -46.680
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -32.983
tors. eta vs tors. theta energy: -68.764
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: 479
Temperature: 1.100000
Total energy: -744.214528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.214528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.214528 (E_RNA)
where:
Base-Base interactions energy: -491.517
where: short stacking energy: -210.250
Base-Backbone interact. energy: -0.473
local terms energy: -252.225056
where:
bonds (distance) C4'-P energy: -40.605
bonds (distance) P-C4' energy: -47.617
flat angles C4'-P-C4' energy: -49.389
flat angles P-C4'-P energy: -42.997
tors. eta vs tors. theta energy: -71.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -704.135710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.135710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.135710 (E_RNA)
where:
Base-Base interactions energy: -498.177
where: short stacking energy: -191.755
Base-Backbone interact. energy: -0.277
local terms energy: -205.681148
where:
bonds (distance) C4'-P energy: -40.871
bonds (distance) P-C4' energy: -40.675
flat angles C4'-P-C4' energy: -42.742
flat angles P-C4'-P energy: -31.660
tors. eta vs tors. theta energy: -49.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -627.082713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.082713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.082713 (E_RNA)
where:
Base-Base interactions energy: -428.801
where: short stacking energy: -183.533
Base-Backbone interact. energy: -0.553
local terms energy: -197.728231
where:
bonds (distance) C4'-P energy: -41.451
bonds (distance) P-C4' energy: -36.501
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -43.589
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: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -416.403515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.403515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.403515 (E_RNA)
where:
Base-Base interactions energy: -262.291
where: short stacking energy: -129.450
Base-Backbone interact. energy: -0.437
local terms energy: -153.675461
where:
bonds (distance) C4'-P energy: -38.844
bonds (distance) P-C4' energy: -41.685
flat angles C4'-P-C4' energy: -32.283
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -213.019362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.019362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.019362 (E_RNA)
where:
Base-Base interactions energy: -83.825
where: short stacking energy: -74.642
Base-Backbone interact. energy: -1.097
local terms energy: -128.097165
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -48.634
flat angles C4'-P-C4' energy: -30.395
flat angles P-C4'-P energy: -26.218
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: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -207.221169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221169 (E_RNA)
where:
Base-Base interactions energy: -61.868
where: short stacking energy: -50.884
Base-Backbone interact. energy: 0.339
local terms energy: -145.691458
where:
bonds (distance) C4'-P energy: -42.482
bonds (distance) P-C4' energy: -47.297
flat angles C4'-P-C4' energy: -40.241
flat angles P-C4'-P energy: -24.186
tors. eta vs tors. theta energy: 8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -901.255840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.255840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.255840 (E_RNA)
where:
Base-Base interactions energy: -635.233
where: short stacking energy: -272.260
Base-Backbone interact. energy: -0.003
local terms energy: -266.020766
where:
bonds (distance) C4'-P energy: -40.514
bonds (distance) P-C4' energy: -48.253
flat angles C4'-P-C4' energy: -56.345
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -83.938
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: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -881.289380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.289380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.289380 (E_RNA)
where:
Base-Base interactions energy: -624.292
where: short stacking energy: -265.430
Base-Backbone interact. energy: -0.247
local terms energy: -256.750942
where:
bonds (distance) C4'-P energy: -41.762
bonds (distance) P-C4' energy: -49.459
flat angles C4'-P-C4' energy: -54.569
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -83.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -885.950950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.950950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.950950 (E_RNA)
where:
Base-Base interactions energy: -619.732
where: short stacking energy: -255.107
Base-Backbone interact. energy: -0.012
local terms energy: -266.206969
where:
bonds (distance) C4'-P energy: -51.609
bonds (distance) P-C4' energy: -45.602
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -80.106
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: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -745.720587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.720587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.720587 (E_RNA)
where:
Base-Base interactions energy: -508.904
where: short stacking energy: -220.988
Base-Backbone interact. energy: -0.331
local terms energy: -236.486238
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -49.370
flat angles C4'-P-C4' energy: -50.509
flat angles P-C4'-P energy: -21.572
tors. eta vs tors. theta energy: -79.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -757.502943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.502943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.502943 (E_RNA)
where:
Base-Base interactions energy: -534.929
where: short stacking energy: -235.628
Base-Backbone interact. energy: -0.296
local terms energy: -222.277708
where:
bonds (distance) C4'-P energy: -41.893
bonds (distance) P-C4' energy: -37.722
flat angles C4'-P-C4' energy: -46.326
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -69.554
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: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -670.013219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.013219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.013219 (E_RNA)
where:
Base-Base interactions energy: -461.851
where: short stacking energy: -192.563
Base-Backbone interact. energy: -0.644
local terms energy: -207.519129
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -42.046
flat angles C4'-P-C4' energy: -43.656
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: -49.426
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: 2
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -626.465860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.465860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.465860 (E_RNA)
where:
Base-Base interactions energy: -420.012
where: short stacking energy: -189.947
Base-Backbone interact. energy: -1.125
local terms energy: -205.329521
where:
bonds (distance) C4'-P energy: -33.300
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -43.301
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -53.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -470.021130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.021130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.021130 (E_RNA)
where:
Base-Base interactions energy: -290.172
where: short stacking energy: -120.517
Base-Backbone interact. energy: -2.289
local terms energy: -177.559709
where:
bonds (distance) C4'-P energy: -39.323
bonds (distance) P-C4' energy: -33.884
flat angles C4'-P-C4' energy: -42.174
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -25.788
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: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -249.847569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.847569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.847569 (E_RNA)
where:
Base-Base interactions energy: -115.516
where: short stacking energy: -68.999
Base-Backbone interact. energy: -2.829
local terms energy: -131.503132
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -39.389
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: 4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -222.718660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.718660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.718660 (E_RNA)
where:
Base-Base interactions energy: -94.559
where: short stacking energy: -64.950
Base-Backbone interact. energy: -0.666
local terms energy: -127.492940
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -38.839
flat angles C4'-P-C4' energy: -41.751
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: 4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -901.614162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.614162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.614162 (E_RNA)
where:
Base-Base interactions energy: -633.896
where: short stacking energy: -270.946
Base-Backbone interact. energy: -0.244
local terms energy: -267.473454
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -48.614
flat angles C4'-P-C4' energy: -49.317
flat angles P-C4'-P energy: -37.462
tors. eta vs tors. theta energy: -84.298
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: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -902.957014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.957014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.957014 (E_RNA)
where:
Base-Base interactions energy: -636.920
where: short stacking energy: -269.548
Base-Backbone interact. energy: -0.011
local terms energy: -266.026506
where:
bonds (distance) C4'-P energy: -46.282
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -54.755
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -85.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -893.808553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.808553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.808553 (E_RNA)
where:
Base-Base interactions energy: -627.191
where: short stacking energy: -273.597
Base-Backbone interact. energy: -0.022
local terms energy: -266.595342
where:
bonds (distance) C4'-P energy: -44.185
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -40.123
tors. eta vs tors. theta energy: -83.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -745.981073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.981073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.981073 (E_RNA)
where:
Base-Base interactions energy: -519.155
where: short stacking energy: -237.163
Base-Backbone interact. energy: -0.445
local terms energy: -226.380566
where:
bonds (distance) C4'-P energy: -37.702
bonds (distance) P-C4' energy: -40.258
flat angles C4'-P-C4' energy: -45.967
flat angles P-C4'-P energy: -27.805
tors. eta vs tors. theta energy: -74.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -739.256835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.256835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.256835 (E_RNA)
where:
Base-Base interactions energy: -517.401
where: short stacking energy: -214.518
Base-Backbone interact. energy: -0.661
local terms energy: -221.194980
where:
bonds (distance) C4'-P energy: -31.686
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -43.394
flat angles P-C4'-P energy: -40.343
tors. eta vs tors. theta energy: -59.914
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: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -690.753291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.753291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.753291 (E_RNA)
where:
Base-Base interactions energy: -502.100
where: short stacking energy: -198.264
Base-Backbone interact. energy: -0.849
local terms energy: -187.804437
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -46.881
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: -52.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -613.895859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.895859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.895859 (E_RNA)
where:
Base-Base interactions energy: -409.535
where: short stacking energy: -185.617
Base-Backbone interact. energy: -0.047
local terms energy: -204.313578
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -38.960
flat angles C4'-P-C4' energy: -45.610
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -50.497
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: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -463.174151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.174151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.174151 (E_RNA)
where:
Base-Base interactions energy: -289.278
where: short stacking energy: -151.387
Base-Backbone interact. energy: -0.030
local terms energy: -173.866050
where:
bonds (distance) C4'-P energy: -32.174
bonds (distance) P-C4' energy: -39.914
flat angles C4'-P-C4' energy: -36.862
flat angles P-C4'-P energy: -27.512
tors. eta vs tors. theta energy: -37.403
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: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -257.870664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.870664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.870664 (E_RNA)
where:
Base-Base interactions energy: -121.297
where: short stacking energy: -86.808
Base-Backbone interact. energy: 0.557
local terms energy: -137.130850
where:
bonds (distance) C4'-P energy: -34.116
bonds (distance) P-C4' energy: -45.153
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -234.080263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.080263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.080263 (E_RNA)
where:
Base-Base interactions energy: -118.978
where: short stacking energy: -69.024
Base-Backbone interact. energy: 0.705
local terms energy: -115.807608
where:
bonds (distance) C4'-P energy: -34.943
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: 3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -901.365459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.365459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.365459 (E_RNA)
where:
Base-Base interactions energy: -634.211
where: short stacking energy: -262.618
Base-Backbone interact. energy: -0.204
local terms energy: -266.950266
where:
bonds (distance) C4'-P energy: -44.484
bonds (distance) P-C4' energy: -48.321
flat angles C4'-P-C4' energy: -53.401
flat angles P-C4'-P energy: -40.332
tors. eta vs tors. theta energy: -80.412
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: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -888.782576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.782576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.782576 (E_RNA)
where:
Base-Base interactions energy: -629.922
where: short stacking energy: -267.608
Base-Backbone interact. energy: 0.251
local terms energy: -259.112134
where:
bonds (distance) C4'-P energy: -43.146
bonds (distance) P-C4' energy: -44.990
flat angles C4'-P-C4' energy: -49.827
flat angles P-C4'-P energy: -40.490
tors. eta vs tors. theta energy: -80.659
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: 482
Temperature: 1.000000
Total energy: -888.197976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.197976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.197976 (E_RNA)
where:
Base-Base interactions energy: -615.415
where: short stacking energy: -275.259
Base-Backbone interact. energy: -0.009
local terms energy: -272.773781
where:
bonds (distance) C4'-P energy: -41.670
bonds (distance) P-C4' energy: -43.578
flat angles C4'-P-C4' energy: -60.132
flat angles P-C4'-P energy: -42.455
tors. eta vs tors. theta energy: -84.938
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: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -714.445410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.445410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.445410 (E_RNA)
where:
Base-Base interactions energy: -488.050
where: short stacking energy: -214.297
Base-Backbone interact. energy: -0.103
local terms energy: -226.292715
where:
bonds (distance) C4'-P energy: -42.497
bonds (distance) P-C4' energy: -41.509
flat angles C4'-P-C4' energy: -49.241
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -58.364
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: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -749.661547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.661547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.661547 (E_RNA)
where:
Base-Base interactions energy: -534.566
where: short stacking energy: -225.284
Base-Backbone interact. energy: -0.092
local terms energy: -215.003472
where:
bonds (distance) C4'-P energy: -31.627
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -39.035
flat angles P-C4'-P energy: -31.180
tors. eta vs tors. theta energy: -73.801
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: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -687.206636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.206636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.206636 (E_RNA)
where:
Base-Base interactions energy: -485.728
where: short stacking energy: -199.362
Base-Backbone interact. energy: 0.063
local terms energy: -201.542205
where:
bonds (distance) C4'-P energy: -37.954
bonds (distance) P-C4' energy: -44.529
flat angles C4'-P-C4' energy: -45.247
flat angles P-C4'-P energy: -19.623
tors. eta vs tors. theta energy: -54.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -618.306489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.306489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.306489 (E_RNA)
where:
Base-Base interactions energy: -414.955
where: short stacking energy: -176.674
Base-Backbone interact. energy: -0.681
local terms energy: -202.670546
where:
bonds (distance) C4'-P energy: -33.893
bonds (distance) P-C4' energy: -38.794
flat angles C4'-P-C4' energy: -46.800
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -56.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -506.403880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.403880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.403880 (E_RNA)
where:
Base-Base interactions energy: -321.352
where: short stacking energy: -141.771
Base-Backbone interact. energy: -0.295
local terms energy: -184.756924
where:
bonds (distance) C4'-P energy: -40.554
bonds (distance) P-C4' energy: -40.540
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -36.508
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: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -202.609793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.609793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.609793 (E_RNA)
where:
Base-Base interactions energy: -66.154
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.149
local terms energy: -136.306806
where:
bonds (distance) C4'-P energy: -39.727
bonds (distance) P-C4' energy: -46.097
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -27.622
tors. eta vs tors. theta energy: 6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -239.984211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.984211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.984211 (E_RNA)
where:
Base-Base interactions energy: -121.546
where: short stacking energy: -75.448
Base-Backbone interact. energy: 1.775
local terms energy: -120.212635
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -36.669
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -925.077897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.077897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.077897 (E_RNA)
where:
Base-Base interactions energy: -646.691
where: short stacking energy: -264.687
Base-Backbone interact. energy: -0.806
local terms energy: -277.580883
where:
bonds (distance) C4'-P energy: -50.426
bonds (distance) P-C4' energy: -52.602
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -41.148
tors. eta vs tors. theta energy: -79.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -882.799596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.799596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.799596 (E_RNA)
where:
Base-Base interactions energy: -630.227
where: short stacking energy: -269.731
Base-Backbone interact. energy: -0.435
local terms energy: -252.137424
where:
bonds (distance) C4'-P energy: -42.058
bonds (distance) P-C4' energy: -46.682
flat angles C4'-P-C4' energy: -49.279
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -79.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -897.220069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.220069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.220069 (E_RNA)
where:
Base-Base interactions energy: -626.474
where: short stacking energy: -269.073
Base-Backbone interact. energy: -0.242
local terms energy: -270.504596
where:
bonds (distance) C4'-P energy: -47.352
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -52.359
flat angles P-C4'-P energy: -38.604
tors. eta vs tors. theta energy: -86.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -740.154880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.154880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.154880 (E_RNA)
where:
Base-Base interactions energy: -506.662
where: short stacking energy: -215.614
Base-Backbone interact. energy: -0.928
local terms energy: -232.564963
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -48.837
flat angles C4'-P-C4' energy: -46.395
flat angles P-C4'-P energy: -31.004
tors. eta vs tors. theta energy: -63.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -744.131086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.131086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.131086 (E_RNA)
where:
Base-Base interactions energy: -517.351
where: short stacking energy: -221.720
Base-Backbone interact. energy: -0.077
local terms energy: -226.703102
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -39.284
flat angles C4'-P-C4' energy: -47.658
flat angles P-C4'-P energy: -32.706
tors. eta vs tors. theta energy: -65.824
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: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -661.894881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.894881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.894881 (E_RNA)
where:
Base-Base interactions energy: -456.384
where: short stacking energy: -191.674
Base-Backbone interact. energy: -0.328
local terms energy: -205.181961
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -41.462
flat angles P-C4'-P energy: -27.821
tors. eta vs tors. theta energy: -54.081
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: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -636.506064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.506064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.506064 (E_RNA)
where:
Base-Base interactions energy: -416.185
where: short stacking energy: -198.702
Base-Backbone interact. energy: -0.640
local terms energy: -219.680613
where:
bonds (distance) C4'-P energy: -39.166
bonds (distance) P-C4' energy: -49.172
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -34.714
tors. eta vs tors. theta energy: -54.898
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: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -474.292249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.292249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.292249 (E_RNA)
where:
Base-Base interactions energy: -303.895
where: short stacking energy: -139.689
Base-Backbone interact. energy: -0.421
local terms energy: -169.977036
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -39.973
flat angles C4'-P-C4' energy: -42.650
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: -27.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -235.049426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.049426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.049426 (E_RNA)
where:
Base-Base interactions energy: -91.388
where: short stacking energy: -87.743
Base-Backbone interact. energy: -0.652
local terms energy: -143.009555
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -44.935
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -7.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -215.701750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.701750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.701750 (E_RNA)
where:
Base-Base interactions energy: -86.212
where: short stacking energy: -66.804
Base-Backbone interact. energy: 1.092
local terms energy: -130.581716
where:
bonds (distance) C4'-P energy: -35.782
bonds (distance) P-C4' energy: -41.839
flat angles C4'-P-C4' energy: -31.292
flat angles P-C4'-P energy: -27.571
tors. eta vs tors. theta energy: 5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -895.997965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.997965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.997965 (E_RNA)
where:
Base-Base interactions energy: -623.222
where: short stacking energy: -270.175
Base-Backbone interact. energy: -0.078
local terms energy: -272.697854
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -50.969
flat angles C4'-P-C4' energy: -52.908
flat angles P-C4'-P energy: -43.452
tors. eta vs tors. theta energy: -81.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -897.428550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.428550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.428550 (E_RNA)
where:
Base-Base interactions energy: -631.839
where: short stacking energy: -271.068
Base-Backbone interact. energy: -0.578
local terms energy: -265.011200
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -45.496
flat angles C4'-P-C4' energy: -53.154
flat angles P-C4'-P energy: -39.541
tors. eta vs tors. theta energy: -83.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -890.145260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.145260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.145260 (E_RNA)
where:
Base-Base interactions energy: -644.693
where: short stacking energy: -266.890
Base-Backbone interact. energy: -0.090
local terms energy: -245.362606
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -49.922
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -80.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -735.155100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.155100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.155100 (E_RNA)
where:
Base-Base interactions energy: -515.681
where: short stacking energy: -214.655
Base-Backbone interact. energy: -0.421
local terms energy: -219.052365
where:
bonds (distance) C4'-P energy: -39.975
bonds (distance) P-C4' energy: -36.904
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -35.250
tors. eta vs tors. theta energy: -60.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -766.254202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.254202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.254202 (E_RNA)
where:
Base-Base interactions energy: -534.329
where: short stacking energy: -225.852
Base-Backbone interact. energy: -0.292
local terms energy: -231.632886
where:
bonds (distance) C4'-P energy: -42.285
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -47.788
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -60.412
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: 484
Temperature: 1.150000
Total energy: -692.422749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.422749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.422749 (E_RNA)
where:
Base-Base interactions energy: -476.209
where: short stacking energy: -197.421
Base-Backbone interact. energy: -0.641
local terms energy: -215.573648
where:
bonds (distance) C4'-P energy: -47.142
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -57.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -610.816658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.816658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.816658 (E_RNA)
where:
Base-Base interactions energy: -411.386
where: short stacking energy: -189.780
Base-Backbone interact. energy: -0.570
local terms energy: -198.860703
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -42.951
flat angles C4'-P-C4' energy: -45.949
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -56.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -469.206588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.206588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.206588 (E_RNA)
where:
Base-Base interactions energy: -288.770
where: short stacking energy: -135.378
Base-Backbone interact. energy: 0.923
local terms energy: -181.359639
where:
bonds (distance) C4'-P energy: -39.597
bonds (distance) P-C4' energy: -44.298
flat angles C4'-P-C4' energy: -38.343
flat angles P-C4'-P energy: -30.154
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: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -241.148246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.148246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.148246 (E_RNA)
where:
Base-Base interactions energy: -103.229
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.812
local terms energy: -137.107524
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -38.209
flat angles C4'-P-C4' energy: -42.970
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -196.037017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.037017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.037017 (E_RNA)
where:
Base-Base interactions energy: -57.520
where: short stacking energy: -43.107
Base-Backbone interact. energy: -0.790
local terms energy: -137.726977
where:
bonds (distance) C4'-P energy: -47.407
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -38.442
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: 12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -918.960491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.960491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.960491 (E_RNA)
where:
Base-Base interactions energy: -638.640
where: short stacking energy: -279.412
Base-Backbone interact. energy: -0.121
local terms energy: -280.199873
where:
bonds (distance) C4'-P energy: -49.935
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -59.373
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -84.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -902.811936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.811936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.811936 (E_RNA)
where:
Base-Base interactions energy: -635.357
where: short stacking energy: -270.490
Base-Backbone interact. energy: -0.873
local terms energy: -266.582740
where:
bonds (distance) C4'-P energy: -42.075
bonds (distance) P-C4' energy: -50.373
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -83.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -875.432229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.432229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.432229 (E_RNA)
where:
Base-Base interactions energy: -612.352
where: short stacking energy: -266.075
Base-Backbone interact. energy: 0.003
local terms energy: -263.083056
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -40.839
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -38.697
tors. eta vs tors. theta energy: -84.368
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: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -738.867060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.867060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.867060 (E_RNA)
where:
Base-Base interactions energy: -513.678
where: short stacking energy: -213.541
Base-Backbone interact. energy: -0.203
local terms energy: -224.986455
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -44.503
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -66.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -745.162851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.162851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.162851 (E_RNA)
where:
Base-Base interactions energy: -523.422
where: short stacking energy: -208.752
Base-Backbone interact. energy: -0.336
local terms energy: -221.404421
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -48.798
flat angles C4'-P-C4' energy: -45.918
flat angles P-C4'-P energy: -28.571
tors. eta vs tors. theta energy: -58.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -689.280727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.280727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.280727 (E_RNA)
where:
Base-Base interactions energy: -476.406
where: short stacking energy: -190.718
Base-Backbone interact. energy: 0.052
local terms energy: -212.926950
where:
bonds (distance) C4'-P energy: -39.773
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -39.618
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -58.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -584.703206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.703206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.703206 (E_RNA)
where:
Base-Base interactions energy: -388.860
where: short stacking energy: -169.479
Base-Backbone interact. energy: 0.159
local terms energy: -196.002233
where:
bonds (distance) C4'-P energy: -42.037
bonds (distance) P-C4' energy: -42.539
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -28.708
tors. eta vs tors. theta energy: -43.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -473.696743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.696743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.696743 (E_RNA)
where:
Base-Base interactions energy: -291.075
where: short stacking energy: -130.307
Base-Backbone interact. energy: 4.313
local terms energy: -186.934762
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -35.780
flat angles C4'-P-C4' energy: -44.991
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -260.681899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.681899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.681899 (E_RNA)
where:
Base-Base interactions energy: -117.520
where: short stacking energy: -85.763
Base-Backbone interact. energy: 1.031
local terms energy: -144.192632
where:
bonds (distance) C4'-P energy: -37.864
bonds (distance) P-C4' energy: -42.361
flat angles C4'-P-C4' energy: -40.062
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -213.778005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.778005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.778005 (E_RNA)
where:
Base-Base interactions energy: -75.055
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.256
local terms energy: -138.466307
where:
bonds (distance) C4'-P energy: -42.293
bonds (distance) P-C4' energy: -38.342
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -906.888080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.888080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.888080 (E_RNA)
where:
Base-Base interactions energy: -632.865
where: short stacking energy: -270.910
Base-Backbone interact. energy: -0.105
local terms energy: -273.917175
where:
bonds (distance) C4'-P energy: -45.182
bonds (distance) P-C4' energy: -47.551
flat angles C4'-P-C4' energy: -56.819
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -85.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -883.728053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.728053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.728053 (E_RNA)
where:
Base-Base interactions energy: -628.687
where: short stacking energy: -279.844
Base-Backbone interact. energy: -0.804
local terms energy: -254.237362
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -84.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -902.229086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.229086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.229086 (E_RNA)
where:
Base-Base interactions energy: -628.615
where: short stacking energy: -263.011
Base-Backbone interact. energy: -0.778
local terms energy: -272.836546
where:
bonds (distance) C4'-P energy: -41.601
bonds (distance) P-C4' energy: -49.146
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -43.554
tors. eta vs tors. theta energy: -84.181
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: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -753.770918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.770918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.770918 (E_RNA)
where:
Base-Base interactions energy: -521.052
where: short stacking energy: -228.278
Base-Backbone interact. energy: 0.232
local terms energy: -232.950782
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -44.616
flat angles C4'-P-C4' energy: -49.203
flat angles P-C4'-P energy: -32.258
tors. eta vs tors. theta energy: -71.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -731.666761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.666761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.666761 (E_RNA)
where:
Base-Base interactions energy: -505.764
where: short stacking energy: -221.874
Base-Backbone interact. energy: -0.355
local terms energy: -225.547786
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -42.909
flat angles C4'-P-C4' energy: -42.536
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -63.922
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: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -726.969429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.969429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.969429 (E_RNA)
where:
Base-Base interactions energy: -503.882
where: short stacking energy: -203.636
Base-Backbone interact. energy: 1.626
local terms energy: -224.712884
where:
bonds (distance) C4'-P energy: -47.292
bonds (distance) P-C4' energy: -41.042
flat angles C4'-P-C4' energy: -47.945
flat angles P-C4'-P energy: -36.046
tors. eta vs tors. theta energy: -52.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -575.692520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.692520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.692520 (E_RNA)
where:
Base-Base interactions energy: -381.796
where: short stacking energy: -170.624
Base-Backbone interact. energy: 3.983
local terms energy: -197.879012
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -41.849
flat angles C4'-P-C4' energy: -40.220
flat angles P-C4'-P energy: -30.703
tors. eta vs tors. theta energy: -50.979
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -487.289819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.289819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.289819 (E_RNA)
where:
Base-Base interactions energy: -303.731
where: short stacking energy: -149.402
Base-Backbone interact. energy: -0.626
local terms energy: -182.932954
where:
bonds (distance) C4'-P energy: -35.839
bonds (distance) P-C4' energy: -40.193
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -30.806
tors. eta vs tors. theta energy: -30.210
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: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -214.717972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.717972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.717972 (E_RNA)
where:
Base-Base interactions energy: -86.416
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.113
local terms energy: -128.189433
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: 0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -197.009042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.009042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.009042 (E_RNA)
where:
Base-Base interactions energy: -69.915
where: short stacking energy: -50.564
Base-Backbone interact. energy: -1.017
local terms energy: -126.077592
where:
bonds (distance) C4'-P energy: -44.015
bonds (distance) P-C4' energy: -43.653
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: 5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -901.788796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.788796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.788796 (E_RNA)
where:
Base-Base interactions energy: -638.072
where: short stacking energy: -275.605
Base-Backbone interact. energy: -0.319
local terms energy: -263.397479
where:
bonds (distance) C4'-P energy: -50.069
bonds (distance) P-C4' energy: -36.912
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -38.796
tors. eta vs tors. theta energy: -82.732
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: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -892.643164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.643164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.643164 (E_RNA)
where:
Base-Base interactions energy: -620.910
where: short stacking energy: -260.082
Base-Backbone interact. energy: -0.257
local terms energy: -271.476496
where:
bonds (distance) C4'-P energy: -45.936
bonds (distance) P-C4' energy: -47.963
flat angles C4'-P-C4' energy: -58.749
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -81.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -869.012416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.012416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.012416 (E_RNA)
where:
Base-Base interactions energy: -619.722
where: short stacking energy: -252.729
Base-Backbone interact. energy: -0.076
local terms energy: -249.215127
where:
bonds (distance) C4'-P energy: -43.938
bonds (distance) P-C4' energy: -46.249
flat angles C4'-P-C4' energy: -49.074
flat angles P-C4'-P energy: -31.122
tors. eta vs tors. theta energy: -78.833
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: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -762.923195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.923195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.923195 (E_RNA)
where:
Base-Base interactions energy: -516.166
where: short stacking energy: -228.392
Base-Backbone interact. energy: -0.424
local terms energy: -246.333002
where:
bonds (distance) C4'-P energy: -49.149
bonds (distance) P-C4' energy: -39.644
flat angles C4'-P-C4' energy: -44.897
flat angles P-C4'-P energy: -40.161
tors. eta vs tors. theta energy: -72.482
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: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -722.999784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.999784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.999784 (E_RNA)
where:
Base-Base interactions energy: -490.461
where: short stacking energy: -201.064
Base-Backbone interact. energy: -0.505
local terms energy: -232.034113
where:
bonds (distance) C4'-P energy: -40.446
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -50.103
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: -59.087
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: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -679.454925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.454925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.454925 (E_RNA)
where:
Base-Base interactions energy: -476.830
where: short stacking energy: -193.586
Base-Backbone interact. energy: -0.683
local terms energy: -201.942233
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -50.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -575.100500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.100500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.100500 (E_RNA)
where:
Base-Base interactions energy: -367.447
where: short stacking energy: -168.679
Base-Backbone interact. energy: 0.149
local terms energy: -207.802671
where:
bonds (distance) C4'-P energy: -45.112
bonds (distance) P-C4' energy: -40.829
flat angles C4'-P-C4' energy: -45.331
flat angles P-C4'-P energy: -28.007
tors. eta vs tors. theta energy: -48.524
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: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -479.937584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.937584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.937584 (E_RNA)
where:
Base-Base interactions energy: -313.774
where: short stacking energy: -155.788
Base-Backbone interact. energy: -0.516
local terms energy: -165.647250
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -41.400
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -34.192
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: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -212.790792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.790792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.790792 (E_RNA)
where:
Base-Base interactions energy: -85.661
where: short stacking energy: -74.751
Base-Backbone interact. energy: -1.422
local terms energy: -125.708098
where:
bonds (distance) C4'-P energy: -31.922
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -31.726
flat angles P-C4'-P energy: -30.253
tors. eta vs tors. theta energy: 3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -250.878595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.878595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.878595 (E_RNA)
where:
Base-Base interactions energy: -120.841
where: short stacking energy: -88.240
Base-Backbone interact. energy: -1.531
local terms energy: -128.506262
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -36.540
flat angles C4'-P-C4' energy: -35.852
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -913.647750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.647750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.647750 (E_RNA)
where:
Base-Base interactions energy: -636.356
where: short stacking energy: -274.298
Base-Backbone interact. energy: -0.036
local terms energy: -277.254954
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -39.617
tors. eta vs tors. theta energy: -84.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -893.682154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.682154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.682154 (E_RNA)
where:
Base-Base interactions energy: -629.309
where: short stacking energy: -260.149
Base-Backbone interact. energy: -0.759
local terms energy: -263.614195
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -44.601
flat angles C4'-P-C4' energy: -50.785
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -78.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -883.673857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.673857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.673857 (E_RNA)
where:
Base-Base interactions energy: -625.499
where: short stacking energy: -266.275
Base-Backbone interact. energy: -0.364
local terms energy: -257.811487
where:
bonds (distance) C4'-P energy: -40.045
bonds (distance) P-C4' energy: -46.597
flat angles C4'-P-C4' energy: -52.888
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -81.152
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: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -760.024324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.024324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.024324 (E_RNA)
where:
Base-Base interactions energy: -502.504
where: short stacking energy: -226.277
Base-Backbone interact. energy: -0.111
local terms energy: -257.409246
where:
bonds (distance) C4'-P energy: -49.506
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -53.923
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -74.914
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: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -721.610641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.610641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.610641 (E_RNA)
where:
Base-Base interactions energy: -500.216
where: short stacking energy: -212.748
Base-Backbone interact. energy: -0.787
local terms energy: -220.608018
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -42.219
flat angles P-C4'-P energy: -38.491
tors. eta vs tors. theta energy: -65.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -680.488836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.488836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.488836 (E_RNA)
where:
Base-Base interactions energy: -471.962
where: short stacking energy: -189.082
Base-Backbone interact. energy: -0.464
local terms energy: -208.062746
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -32.373
flat angles C4'-P-C4' energy: -42.796
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -54.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -585.182108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.182108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.182108 (E_RNA)
where:
Base-Base interactions energy: -384.248
where: short stacking energy: -178.535
Base-Backbone interact. energy: -0.288
local terms energy: -200.646661
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -37.639
flat angles C4'-P-C4' energy: -43.719
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: -46.887
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: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -512.602104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.602104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.602104 (E_RNA)
where:
Base-Base interactions energy: -329.546
where: short stacking energy: -155.402
Base-Backbone interact. energy: -0.747
local terms energy: -182.308991
where:
bonds (distance) C4'-P energy: -38.778
bonds (distance) P-C4' energy: -42.782
flat angles C4'-P-C4' energy: -38.449
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -31.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -282.057016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.057016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.057016 (E_RNA)
where:
Base-Base interactions energy: -137.925
where: short stacking energy: -79.430
Base-Backbone interact. energy: 3.262
local terms energy: -147.393624
where:
bonds (distance) C4'-P energy: -33.394
bonds (distance) P-C4' energy: -43.005
flat angles C4'-P-C4' energy: -27.915
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -207.420914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.420914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.420914 (E_RNA)
where:
Base-Base interactions energy: -67.187
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.905
local terms energy: -139.329799
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -42.467
flat angles C4'-P-C4' energy: -32.971
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: 4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -906.824150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.824150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.824150 (E_RNA)
where:
Base-Base interactions energy: -636.117
where: short stacking energy: -275.835
Base-Backbone interact. energy: -0.005
local terms energy: -270.702476
where:
bonds (distance) C4'-P energy: -49.886
bonds (distance) P-C4' energy: -50.897
flat angles C4'-P-C4' energy: -51.583
flat angles P-C4'-P energy: -38.193
tors. eta vs tors. theta energy: -80.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -893.682895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.682895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.682895 (E_RNA)
where:
Base-Base interactions energy: -627.119
where: short stacking energy: -268.822
Base-Backbone interact. energy: -0.004
local terms energy: -266.559710
where:
bonds (distance) C4'-P energy: -45.341
bonds (distance) P-C4' energy: -44.426
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -37.123
tors. eta vs tors. theta energy: -82.579
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: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -879.534032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.534032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.534032 (E_RNA)
where:
Base-Base interactions energy: -620.948
where: short stacking energy: -269.070
Base-Backbone interact. energy: -0.460
local terms energy: -258.125547
where:
bonds (distance) C4'-P energy: -44.467
bonds (distance) P-C4' energy: -42.503
flat angles C4'-P-C4' energy: -50.057
flat angles P-C4'-P energy: -39.098
tors. eta vs tors. theta energy: -81.999
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: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -748.628468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.628468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.628468 (E_RNA)
where:
Base-Base interactions energy: -506.207
where: short stacking energy: -220.311
Base-Backbone interact. energy: 0.085
local terms energy: -242.506456
where:
bonds (distance) C4'-P energy: -43.808
bonds (distance) P-C4' energy: -45.911
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -67.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -741.589623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.589623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.589623 (E_RNA)
where:
Base-Base interactions energy: -510.404
where: short stacking energy: -226.156
Base-Backbone interact. energy: 0.895
local terms energy: -232.080325
where:
bonds (distance) C4'-P energy: -42.203
bonds (distance) P-C4' energy: -46.218
flat angles C4'-P-C4' energy: -51.986
flat angles P-C4'-P energy: -36.085
tors. eta vs tors. theta energy: -55.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -626.406408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.406408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.406408 (E_RNA)
where:
Base-Base interactions energy: -422.277
where: short stacking energy: -186.177
Base-Backbone interact. energy: -1.416
local terms energy: -202.714064
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -46.326
flat angles C4'-P-C4' energy: -39.947
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -44.326
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: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -656.193752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.193752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.193752 (E_RNA)
where:
Base-Base interactions energy: -469.185
where: short stacking energy: -192.995
Base-Backbone interact. energy: -0.769
local terms energy: -186.240659
where:
bonds (distance) C4'-P energy: -33.332
bonds (distance) P-C4' energy: -32.530
flat angles C4'-P-C4' energy: -42.987
flat angles P-C4'-P energy: -29.072
tors. eta vs tors. theta energy: -48.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -466.676387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.676387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.676387 (E_RNA)
where:
Base-Base interactions energy: -291.047
where: short stacking energy: -146.344
Base-Backbone interact. energy: 0.797
local terms energy: -176.426296
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -25.707
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: 9, replica: 6
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -287.174031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.174031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.174031 (E_RNA)
where:
Base-Base interactions energy: -133.137
where: short stacking energy: -68.454
Base-Backbone interact. energy: -2.101
local terms energy: -151.935848
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -50.696
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -26.793
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: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -208.690101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.690101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.690101 (E_RNA)
where:
Base-Base interactions energy: -72.309
where: short stacking energy: -58.511
Base-Backbone interact. energy: 3.125
local terms energy: -139.506165
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -41.746
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -21.334
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: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -907.987161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.987161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.987161 (E_RNA)
where:
Base-Base interactions energy: -644.285
where: short stacking energy: -278.117
Base-Backbone interact. energy: -0.002
local terms energy: -263.700671
where:
bonds (distance) C4'-P energy: -49.249
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -48.682
flat angles P-C4'-P energy: -38.077
tors. eta vs tors. theta energy: -82.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -887.807609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.807609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.807609 (E_RNA)
where:
Base-Base interactions energy: -618.451
where: short stacking energy: -262.457
Base-Backbone interact. energy: -0.003
local terms energy: -269.353729
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -51.938
flat angles P-C4'-P energy: -42.030
tors. eta vs tors. theta energy: -78.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -874.715000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.715000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.715000 (E_RNA)
where:
Base-Base interactions energy: -612.445
where: short stacking energy: -266.259
Base-Backbone interact. energy: -0.371
local terms energy: -261.899869
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -45.119
tors. eta vs tors. theta energy: -83.045
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: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -753.486173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.486173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.486173 (E_RNA)
where:
Base-Base interactions energy: -512.241
where: short stacking energy: -221.713
Base-Backbone interact. energy: -0.185
local terms energy: -241.060221
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -43.955
flat angles C4'-P-C4' energy: -53.057
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -67.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -748.312443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.312443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.312443 (E_RNA)
where:
Base-Base interactions energy: -528.043
where: short stacking energy: -219.687
Base-Backbone interact. energy: -0.947
local terms energy: -219.322632
where:
bonds (distance) C4'-P energy: -42.008
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -35.983
tors. eta vs tors. theta energy: -53.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -602.349306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.349306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.349306 (E_RNA)
where:
Base-Base interactions energy: -390.765
where: short stacking energy: -186.750
Base-Backbone interact. energy: -0.379
local terms energy: -211.205465
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -52.402
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: -52.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -644.761505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.761505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.761505 (E_RNA)
where:
Base-Base interactions energy: -452.584
where: short stacking energy: -182.967
Base-Backbone interact. energy: -0.589
local terms energy: -191.588560
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -42.357
flat angles C4'-P-C4' energy: -45.339
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -45.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -496.479519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.479519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.479519 (E_RNA)
where:
Base-Base interactions energy: -327.286
where: short stacking energy: -168.007
Base-Backbone interact. energy: -0.108
local terms energy: -169.085251
where:
bonds (distance) C4'-P energy: -38.787
bonds (distance) P-C4' energy: -41.431
flat angles C4'-P-C4' energy: -38.044
flat angles P-C4'-P energy: -20.126
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: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -285.995441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.995441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.995441 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -110.873
Base-Backbone interact. energy: -0.196
local terms energy: -142.389260
where:
bonds (distance) C4'-P energy: -43.375
bonds (distance) P-C4' energy: -40.659
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -211.431874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.431874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.431874 (E_RNA)
where:
Base-Base interactions energy: -76.151
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.721
local terms energy: -134.559797
where:
bonds (distance) C4'-P energy: -39.881
bonds (distance) P-C4' energy: -41.306
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -919.434205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.434205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.434205 (E_RNA)
where:
Base-Base interactions energy: -643.681
where: short stacking energy: -275.210
Base-Backbone interact. energy: -0.101
local terms energy: -275.651972
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -46.071
flat angles C4'-P-C4' energy: -60.868
flat angles P-C4'-P energy: -39.070
tors. eta vs tors. theta energy: -83.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -894.930242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.930242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.930242 (E_RNA)
where:
Base-Base interactions energy: -626.963
where: short stacking energy: -257.007
Base-Backbone interact. energy: -1.454
local terms energy: -266.513180
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -53.182
flat angles C4'-P-C4' energy: -54.016
flat angles P-C4'-P energy: -34.221
tors. eta vs tors. theta energy: -82.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -885.162915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.162915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.162915 (E_RNA)
where:
Base-Base interactions energy: -622.780
where: short stacking energy: -270.938
Base-Backbone interact. energy: -0.357
local terms energy: -262.026287
where:
bonds (distance) C4'-P energy: -50.504
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -55.593
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: -81.718
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: 491
Temperature: 1.050000
Total energy: -785.903221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.903221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.903221 (E_RNA)
where:
Base-Base interactions energy: -539.179
where: short stacking energy: -219.436
Base-Backbone interact. energy: -0.638
local terms energy: -246.086492
where:
bonds (distance) C4'-P energy: -52.412
bonds (distance) P-C4' energy: -47.213
flat angles C4'-P-C4' energy: -47.374
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: -64.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -739.386386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.386386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.386386 (E_RNA)
where:
Base-Base interactions energy: -503.000
where: short stacking energy: -206.364
Base-Backbone interact. energy: -1.123
local terms energy: -235.263311
where:
bonds (distance) C4'-P energy: -43.278
bonds (distance) P-C4' energy: -45.652
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -26.405
tors. eta vs tors. theta energy: -68.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -699.590782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.590782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.590782 (E_RNA)
where:
Base-Base interactions energy: -483.377
where: short stacking energy: -192.340
Base-Backbone interact. energy: 0.160
local terms energy: -216.373445
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -40.472
flat angles C4'-P-C4' energy: -46.426
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -57.373
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: 2
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -608.725682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.725682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.725682 (E_RNA)
where:
Base-Base interactions energy: -406.960
where: short stacking energy: -198.125
Base-Backbone interact. energy: -0.509
local terms energy: -201.256961
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -33.478
flat angles C4'-P-C4' energy: -45.787
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -57.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -472.423769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.423769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.423769 (E_RNA)
where:
Base-Base interactions energy: -308.415
where: short stacking energy: -150.066
Base-Backbone interact. energy: -1.303
local terms energy: -162.706688
where:
bonds (distance) C4'-P energy: -38.269
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -36.089
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -33.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -240.076744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.076744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.076744 (E_RNA)
where:
Base-Base interactions energy: -100.881
where: short stacking energy: -89.421
Base-Backbone interact. energy: -2.611
local terms energy: -136.584193
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -37.277
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -223.872310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.872310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.872310 (E_RNA)
where:
Base-Base interactions energy: -92.685
where: short stacking energy: -65.833
Base-Backbone interact. energy: 3.470
local terms energy: -134.657388
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -44.173
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -906.489802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.489802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.489802 (E_RNA)
where:
Base-Base interactions energy: -635.271
where: short stacking energy: -266.845
Base-Backbone interact. energy: -0.080
local terms energy: -271.138525
where:
bonds (distance) C4'-P energy: -44.922
bonds (distance) P-C4' energy: -49.035
flat angles C4'-P-C4' energy: -56.824
flat angles P-C4'-P energy: -36.204
tors. eta vs tors. theta energy: -84.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -910.464075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.464075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.464075 (E_RNA)
where:
Base-Base interactions energy: -646.218
where: short stacking energy: -269.943
Base-Backbone interact. energy: -0.381
local terms energy: -263.865674
where:
bonds (distance) C4'-P energy: -44.487
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -54.030
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -81.583
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: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -872.558828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.558828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.558828 (E_RNA)
where:
Base-Base interactions energy: -614.766
where: short stacking energy: -270.777
Base-Backbone interact. energy: -0.074
local terms energy: -257.718227
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -37.792
flat angles C4'-P-C4' energy: -54.253
flat angles P-C4'-P energy: -40.696
tors. eta vs tors. theta energy: -84.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -771.064546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.064546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.064546 (E_RNA)
where:
Base-Base interactions energy: -547.417
where: short stacking energy: -223.284
Base-Backbone interact. energy: -0.373
local terms energy: -223.274600
where:
bonds (distance) C4'-P energy: -43.147
bonds (distance) P-C4' energy: -42.572
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -28.551
tors. eta vs tors. theta energy: -61.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -721.650985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.650985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.650985 (E_RNA)
where:
Base-Base interactions energy: -494.011
where: short stacking energy: -207.300
Base-Backbone interact. energy: -0.732
local terms energy: -226.907814
where:
bonds (distance) C4'-P energy: -32.241
bonds (distance) P-C4' energy: -46.830
flat angles C4'-P-C4' energy: -52.744
flat angles P-C4'-P energy: -31.708
tors. eta vs tors. theta energy: -63.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -727.204291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.204291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.204291 (E_RNA)
where:
Base-Base interactions energy: -505.434
where: short stacking energy: -202.901
Base-Backbone interact. energy: -0.023
local terms energy: -221.748093
where:
bonds (distance) C4'-P energy: -39.201
bonds (distance) P-C4' energy: -46.202
flat angles C4'-P-C4' energy: -50.682
flat angles P-C4'-P energy: -35.338
tors. eta vs tors. theta energy: -50.325
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: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -599.196048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.196048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.196048 (E_RNA)
where:
Base-Base interactions energy: -395.497
where: short stacking energy: -176.987
Base-Backbone interact. energy: -0.513
local terms energy: -203.185738
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -39.917
flat angles P-C4'-P energy: -29.015
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -436.227511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.227511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.227511 (E_RNA)
where:
Base-Base interactions energy: -275.749
where: short stacking energy: -141.864
Base-Backbone interact. energy: -0.785
local terms energy: -159.693931
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -43.840
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -22.047
tors. eta vs tors. theta energy: -30.809
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: 492
Temperature: 1.300000
Total energy: -263.204737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.204737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.204737 (E_RNA)
where:
Base-Base interactions energy: -132.209
where: short stacking energy: -77.872
Base-Backbone interact. energy: 0.446
local terms energy: -131.441930
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -42.766
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: 3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -190.696640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.696640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.696640 (E_RNA)
where:
Base-Base interactions energy: -50.845
where: short stacking energy: -42.791
Base-Backbone interact. energy: -0.893
local terms energy: -138.958975
where:
bonds (distance) C4'-P energy: -41.690
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -39.795
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: 5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -899.795793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.795793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.795793 (E_RNA)
where:
Base-Base interactions energy: -640.124
where: short stacking energy: -267.328
Base-Backbone interact. energy: -0.009
local terms energy: -259.662684
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -46.725
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: -84.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -902.154481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.154481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.154481 (E_RNA)
where:
Base-Base interactions energy: -637.921
where: short stacking energy: -272.406
Base-Backbone interact. energy: -0.736
local terms energy: -263.498043
where:
bonds (distance) C4'-P energy: -42.888
bonds (distance) P-C4' energy: -44.117
flat angles C4'-P-C4' energy: -52.907
flat angles P-C4'-P energy: -38.955
tors. eta vs tors. theta energy: -84.631
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: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -871.836229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.836229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.836229 (E_RNA)
where:
Base-Base interactions energy: -616.708
where: short stacking energy: -261.341
Base-Backbone interact. energy: -0.139
local terms energy: -254.988866
where:
bonds (distance) C4'-P energy: -36.822
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -49.405
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -82.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -766.062333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.062333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.062333 (E_RNA)
where:
Base-Base interactions energy: -536.567
where: short stacking energy: -227.588
Base-Backbone interact. energy: -1.218
local terms energy: -228.277371
where:
bonds (distance) C4'-P energy: -33.987
bonds (distance) P-C4' energy: -49.459
flat angles C4'-P-C4' energy: -47.691
flat angles P-C4'-P energy: -28.769
tors. eta vs tors. theta energy: -68.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -727.916464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.916464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.916464 (E_RNA)
where:
Base-Base interactions energy: -500.781
where: short stacking energy: -224.202
Base-Backbone interact. energy: -0.328
local terms energy: -226.808036
where:
bonds (distance) C4'-P energy: -41.087
bonds (distance) P-C4' energy: -44.972
flat angles C4'-P-C4' energy: -45.215
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -70.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -751.282478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.282478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.282478 (E_RNA)
where:
Base-Base interactions energy: -509.939
where: short stacking energy: -213.912
Base-Backbone interact. energy: -0.652
local terms energy: -240.692016
where:
bonds (distance) C4'-P energy: -44.885
bonds (distance) P-C4' energy: -45.236
flat angles C4'-P-C4' energy: -48.156
flat angles P-C4'-P energy: -40.655
tors. eta vs tors. theta energy: -61.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -606.864847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.864847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.864847 (E_RNA)
where:
Base-Base interactions energy: -393.380
where: short stacking energy: -179.058
Base-Backbone interact. energy: 0.125
local terms energy: -213.610004
where:
bonds (distance) C4'-P energy: -36.266
bonds (distance) P-C4' energy: -48.899
flat angles C4'-P-C4' energy: -53.529
flat angles P-C4'-P energy: -22.664
tors. eta vs tors. theta energy: -52.252
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: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -439.615943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.615943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.615943 (E_RNA)
where:
Base-Base interactions energy: -270.753
where: short stacking energy: -127.931
Base-Backbone interact. energy: -0.537
local terms energy: -168.325463
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -47.738
flat angles C4'-P-C4' energy: -39.631
flat angles P-C4'-P energy: -30.038
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: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -307.842522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.842522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.842522 (E_RNA)
where:
Base-Base interactions energy: -169.054
where: short stacking energy: -89.580
Base-Backbone interact. energy: -1.043
local terms energy: -137.744743
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -51.553
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -202.126815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.126815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.126815 (E_RNA)
where:
Base-Base interactions energy: -63.448
where: short stacking energy: -54.827
Base-Backbone interact. energy: -0.818
local terms energy: -137.860600
where:
bonds (distance) C4'-P energy: -32.646
bonds (distance) P-C4' energy: -40.117
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -921.244536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.244536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.244536 (E_RNA)
where:
Base-Base interactions energy: -654.830
where: short stacking energy: -268.547
Base-Backbone interact. energy: -0.244
local terms energy: -266.170477
where:
bonds (distance) C4'-P energy: -49.916
bonds (distance) P-C4' energy: -47.416
flat angles C4'-P-C4' energy: -50.414
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -82.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -907.331540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.331540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.331540 (E_RNA)
where:
Base-Base interactions energy: -651.903
where: short stacking energy: -260.862
Base-Backbone interact. energy: -0.879
local terms energy: -254.550089
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -52.822
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -79.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -859.186439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.186439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.186439 (E_RNA)
where:
Base-Base interactions energy: -608.108
where: short stacking energy: -249.377
Base-Backbone interact. energy: -0.944
local terms energy: -250.134619
where:
bonds (distance) C4'-P energy: -41.173
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -54.226
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -76.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -747.875898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.875898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.875898 (E_RNA)
where:
Base-Base interactions energy: -522.254
where: short stacking energy: -219.613
Base-Backbone interact. energy: -2.602
local terms energy: -223.019588
where:
bonds (distance) C4'-P energy: -33.552
bonds (distance) P-C4' energy: -46.860
flat angles C4'-P-C4' energy: -44.281
flat angles P-C4'-P energy: -36.993
tors. eta vs tors. theta energy: -61.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -720.919019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.919019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.919019 (E_RNA)
where:
Base-Base interactions energy: -488.467
where: short stacking energy: -211.285
Base-Backbone interact. energy: -0.438
local terms energy: -232.014290
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -48.297
flat angles C4'-P-C4' energy: -46.969
flat angles P-C4'-P energy: -36.725
tors. eta vs tors. theta energy: -63.906
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: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -723.692359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.692359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.692359 (E_RNA)
where:
Base-Base interactions energy: -500.607
where: short stacking energy: -214.494
Base-Backbone interact. energy: -2.099
local terms energy: -220.986040
where:
bonds (distance) C4'-P energy: -38.882
bonds (distance) P-C4' energy: -31.747
flat angles C4'-P-C4' energy: -50.236
flat angles P-C4'-P energy: -35.176
tors. eta vs tors. theta energy: -64.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -594.752377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.752377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.752377 (E_RNA)
where:
Base-Base interactions energy: -399.844
where: short stacking energy: -171.330
Base-Backbone interact. energy: 1.412
local terms energy: -196.320674
where:
bonds (distance) C4'-P energy: -37.997
bonds (distance) P-C4' energy: -40.602
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -51.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -429.328889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.328889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.328889 (E_RNA)
where:
Base-Base interactions energy: -253.473
where: short stacking energy: -122.746
Base-Backbone interact. energy: -0.116
local terms energy: -175.740431
where:
bonds (distance) C4'-P energy: -40.730
bonds (distance) P-C4' energy: -36.898
flat angles C4'-P-C4' energy: -39.256
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -39.634
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: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -278.154251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.154251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.154251 (E_RNA)
where:
Base-Base interactions energy: -128.196
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.416
local terms energy: -149.541921
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -37.597
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: 5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -204.531745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.531745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.531745 (E_RNA)
where:
Base-Base interactions energy: -67.531
where: short stacking energy: -56.348
Base-Backbone interact. energy: 0.302
local terms energy: -137.302435
where:
bonds (distance) C4'-P energy: -39.688
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -39.577
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: 8.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -926.067300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.067300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.067300 (E_RNA)
where:
Base-Base interactions energy: -657.549
where: short stacking energy: -285.564
Base-Backbone interact. energy: -0.404
local terms energy: -268.114917
where:
bonds (distance) C4'-P energy: -54.164
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -53.684
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -82.861
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: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -893.037370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.037370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.037370 (E_RNA)
where:
Base-Base interactions energy: -638.062
where: short stacking energy: -261.966
Base-Backbone interact. energy: -0.135
local terms energy: -254.840058
where:
bonds (distance) C4'-P energy: -38.810
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -48.142
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -81.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -890.219909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.219909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.219909 (E_RNA)
where:
Base-Base interactions energy: -637.152
where: short stacking energy: -257.488
Base-Backbone interact. energy: -0.395
local terms energy: -252.672840
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -50.457
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -78.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -762.590829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.590829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.590829 (E_RNA)
where:
Base-Base interactions energy: -543.171
where: short stacking energy: -240.620
Base-Backbone interact. energy: 1.317
local terms energy: -220.737215
where:
bonds (distance) C4'-P energy: -41.852
bonds (distance) P-C4' energy: -35.575
flat angles C4'-P-C4' energy: -50.640
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: -68.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -735.423938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.423938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.423938 (E_RNA)
where:
Base-Base interactions energy: -503.109
where: short stacking energy: -220.027
Base-Backbone interact. energy: -0.439
local terms energy: -231.875921
where:
bonds (distance) C4'-P energy: -44.994
bonds (distance) P-C4' energy: -37.924
flat angles C4'-P-C4' energy: -44.700
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -74.104
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: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -668.400053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.400053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.400053 (E_RNA)
where:
Base-Base interactions energy: -468.678
where: short stacking energy: -192.938
Base-Backbone interact. energy: -0.290
local terms energy: -199.431739
where:
bonds (distance) C4'-P energy: -34.294
bonds (distance) P-C4' energy: -41.349
flat angles C4'-P-C4' energy: -48.880
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -46.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -616.991968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.991968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.991968 (E_RNA)
where:
Base-Base interactions energy: -409.100
where: short stacking energy: -186.143
Base-Backbone interact. energy: -0.577
local terms energy: -207.315097
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -46.216
flat angles P-C4'-P energy: -29.904
tors. eta vs tors. theta energy: -49.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -450.345264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.345264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.345264 (E_RNA)
where:
Base-Base interactions energy: -274.860
where: short stacking energy: -134.627
Base-Backbone interact. energy: -1.970
local terms energy: -173.514921
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -38.411
flat angles C4'-P-C4' energy: -44.120
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -33.652
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: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -224.673824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.673824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.673824 (E_RNA)
where:
Base-Base interactions energy: -91.456
where: short stacking energy: -76.889
Base-Backbone interact. energy: 4.316
local terms energy: -137.534124
where:
bonds (distance) C4'-P energy: -42.374
bonds (distance) P-C4' energy: -37.432
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -206.062952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.062952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.062952 (E_RNA)
where:
Base-Base interactions energy: -86.547
where: short stacking energy: -68.959
Base-Backbone interact. energy: -0.733
local terms energy: -118.782710
where:
bonds (distance) C4'-P energy: -28.662
bonds (distance) P-C4' energy: -39.589
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -910.428115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.428115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.428115 (E_RNA)
where:
Base-Base interactions energy: -632.096
where: short stacking energy: -269.077
Base-Backbone interact. energy: -0.329
local terms energy: -278.002525
where:
bonds (distance) C4'-P energy: -53.301
bonds (distance) P-C4' energy: -47.433
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -83.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -906.906183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.906183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.906183 (E_RNA)
where:
Base-Base interactions energy: -643.727
where: short stacking energy: -265.444
Base-Backbone interact. energy: -0.036
local terms energy: -263.143141
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -37.080
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -41.239
tors. eta vs tors. theta energy: -82.145
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: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -889.111241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.111241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.111241 (E_RNA)
where:
Base-Base interactions energy: -624.197
where: short stacking energy: -266.774
Base-Backbone interact. energy: -0.693
local terms energy: -264.221297
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -42.842
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -41.684
tors. eta vs tors. theta energy: -83.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -776.460880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.460880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.460880 (E_RNA)
where:
Base-Base interactions energy: -546.311
where: short stacking energy: -228.915
Base-Backbone interact. energy: -0.883
local terms energy: -229.267433
where:
bonds (distance) C4'-P energy: -38.099
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -50.334
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -61.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -742.553746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.553746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.553746 (E_RNA)
where:
Base-Base interactions energy: -494.609
where: short stacking energy: -206.773
Base-Backbone interact. energy: -0.295
local terms energy: -247.649559
where:
bonds (distance) C4'-P energy: -46.720
bonds (distance) P-C4' energy: -47.810
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -33.409
tors. eta vs tors. theta energy: -71.461
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: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -683.752435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.752435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.752435 (E_RNA)
where:
Base-Base interactions energy: -465.183
where: short stacking energy: -200.426
Base-Backbone interact. energy: -0.264
local terms energy: -218.305696
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -38.399
flat angles C4'-P-C4' energy: -49.706
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -55.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -552.370108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.370108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.370108 (E_RNA)
where:
Base-Base interactions energy: -357.933
where: short stacking energy: -163.567
Base-Backbone interact. energy: -0.788
local terms energy: -193.649278
where:
bonds (distance) C4'-P energy: -40.867
bonds (distance) P-C4' energy: -36.810
flat angles C4'-P-C4' energy: -40.083
flat angles P-C4'-P energy: -30.065
tors. eta vs tors. theta energy: -45.824
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: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -449.473814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.473814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.473814 (E_RNA)
where:
Base-Base interactions energy: -266.654
where: short stacking energy: -147.646
Base-Backbone interact. energy: 1.703
local terms energy: -184.522124
where:
bonds (distance) C4'-P energy: -41.193
bonds (distance) P-C4' energy: -37.995
flat angles C4'-P-C4' energy: -43.689
flat angles P-C4'-P energy: -25.339
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: 9, replica: 8
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -234.051326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.051326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.051326 (E_RNA)
where:
Base-Base interactions energy: -89.271
where: short stacking energy: -82.120
Base-Backbone interact. energy: 1.434
local terms energy: -146.213936
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -32.196
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -194.919935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.919935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.919935 (E_RNA)
where:
Base-Base interactions energy: -85.347
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.717
local terms energy: -108.856164
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -40.110
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: 11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -917.735537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.735537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.735537 (E_RNA)
where:
Base-Base interactions energy: -655.085
where: short stacking energy: -264.775
Base-Backbone interact. energy: 0.220
local terms energy: -262.871239
where:
bonds (distance) C4'-P energy: -47.046
bonds (distance) P-C4' energy: -47.478
flat angles C4'-P-C4' energy: -46.869
flat angles P-C4'-P energy: -41.200
tors. eta vs tors. theta energy: -80.278
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: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -900.067181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.067181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.067181 (E_RNA)
where:
Base-Base interactions energy: -636.836
where: short stacking energy: -278.666
Base-Backbone interact. energy: -0.623
local terms energy: -262.607637
where:
bonds (distance) C4'-P energy: -44.607
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -53.612
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -82.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -902.549783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.549783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.549783 (E_RNA)
where:
Base-Base interactions energy: -647.528
where: short stacking energy: -280.110
Base-Backbone interact. energy: -0.811
local terms energy: -254.210510
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -43.080
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -84.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -800.931170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.931170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.931170 (E_RNA)
where:
Base-Base interactions energy: -559.112
where: short stacking energy: -243.595
Base-Backbone interact. energy: -0.078
local terms energy: -241.741256
where:
bonds (distance) C4'-P energy: -46.706
bonds (distance) P-C4' energy: -44.938
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -69.666
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: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -741.757122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.757122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.757122 (E_RNA)
where:
Base-Base interactions energy: -531.592
where: short stacking energy: -206.615
Base-Backbone interact. energy: -1.729
local terms energy: -208.436561
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -62.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -675.793700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.793700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.793700 (E_RNA)
where:
Base-Base interactions energy: -464.779
where: short stacking energy: -195.837
Base-Backbone interact. energy: -2.442
local terms energy: -208.571771
where:
bonds (distance) C4'-P energy: -46.795
bonds (distance) P-C4' energy: -34.618
flat angles C4'-P-C4' energy: -46.456
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -53.048
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: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -623.761747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.761747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.761747 (E_RNA)
where:
Base-Base interactions energy: -412.107
where: short stacking energy: -181.460
Base-Backbone interact. energy: -0.530
local terms energy: -211.124833
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -43.002
flat angles C4'-P-C4' energy: -47.393
flat angles P-C4'-P energy: -31.606
tors. eta vs tors. theta energy: -52.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -452.312850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.312850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.312850 (E_RNA)
where:
Base-Base interactions energy: -279.758
where: short stacking energy: -144.480
Base-Backbone interact. energy: 0.541
local terms energy: -173.096083
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -43.413
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -36.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -219.742106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.742106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.742106 (E_RNA)
where:
Base-Base interactions energy: -86.552
where: short stacking energy: -66.581
Base-Backbone interact. energy: 3.082
local terms energy: -136.272809
where:
bonds (distance) C4'-P energy: -38.618
bonds (distance) P-C4' energy: -38.167
flat angles C4'-P-C4' energy: -38.622
flat angles P-C4'-P energy: -22.375
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -200.739546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.739546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739546 (E_RNA)
where:
Base-Base interactions energy: -83.951
where: short stacking energy: -68.750
Base-Backbone interact. energy: 1.298
local terms energy: -118.086681
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -40.704
flat angles C4'-P-C4' energy: -36.890
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -919.437348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.437348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.437348 (E_RNA)
where:
Base-Base interactions energy: -645.608
where: short stacking energy: -273.272
Base-Backbone interact. energy: -0.822
local terms energy: -273.006597
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -51.098
flat angles P-C4'-P energy: -41.585
tors. eta vs tors. theta energy: -83.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -900.750296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.750296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.750296 (E_RNA)
where:
Base-Base interactions energy: -627.863
where: short stacking energy: -258.178
Base-Backbone interact. energy: -0.032
local terms energy: -272.855758
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -48.573
flat angles C4'-P-C4' energy: -51.097
flat angles P-C4'-P energy: -39.988
tors. eta vs tors. theta energy: -84.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -876.141201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.141201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.141201 (E_RNA)
where:
Base-Base interactions energy: -612.472
where: short stacking energy: -257.953
Base-Backbone interact. energy: -0.017
local terms energy: -263.652267
where:
bonds (distance) C4'-P energy: -48.232
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -49.231
flat angles P-C4'-P energy: -37.254
tors. eta vs tors. theta energy: -84.609
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: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -788.713034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.713034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.713034 (E_RNA)
where:
Base-Base interactions energy: -556.736
where: short stacking energy: -240.934
Base-Backbone interact. energy: -1.083
local terms energy: -230.894132
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -36.825
flat angles C4'-P-C4' energy: -50.697
flat angles P-C4'-P energy: -26.339
tors. eta vs tors. theta energy: -75.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -731.578763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.578763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.578763 (E_RNA)
where:
Base-Base interactions energy: -519.812
where: short stacking energy: -218.332
Base-Backbone interact. energy: -0.356
local terms energy: -211.410835
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -45.677
flat angles C4'-P-C4' energy: -45.343
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -61.882
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: 6, replica: 1
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -655.559732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.559732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.559732 (E_RNA)
where:
Base-Base interactions energy: -439.375
where: short stacking energy: -186.006
Base-Backbone interact. energy: 0.669
local terms energy: -216.854034
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -43.537
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -36.201
tors. eta vs tors. theta energy: -50.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -602.179940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.179940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.179940 (E_RNA)
where:
Base-Base interactions energy: -398.664
where: short stacking energy: -174.928
Base-Backbone interact. energy: -1.106
local terms energy: -202.409519
where:
bonds (distance) C4'-P energy: -38.740
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -37.470
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -58.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -446.319983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.319983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.319983 (E_RNA)
where:
Base-Base interactions energy: -264.502
where: short stacking energy: -117.613
Base-Backbone interact. energy: -0.624
local terms energy: -181.194061
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -47.021
flat angles C4'-P-C4' energy: -44.933
flat angles P-C4'-P energy: -23.629
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: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -223.013319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.013319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.013319 (E_RNA)
where:
Base-Base interactions energy: -92.095
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.676
local terms energy: -130.242556
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -38.494
flat angles C4'-P-C4' energy: -28.535
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -207.164080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.164080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.164080 (E_RNA)
where:
Base-Base interactions energy: -92.940
where: short stacking energy: -78.682
Base-Backbone interact. energy: 0.207
local terms energy: -114.430447
where:
bonds (distance) C4'-P energy: -38.145
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -29.283
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -2.206
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: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -913.720257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.720257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.720257 (E_RNA)
where:
Base-Base interactions energy: -644.794
where: short stacking energy: -277.423
Base-Backbone interact. energy: -0.163
local terms energy: -268.762657
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -43.428
flat angles C4'-P-C4' energy: -57.967
flat angles P-C4'-P energy: -38.878
tors. eta vs tors. theta energy: -84.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -882.343899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.343899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.343899 (E_RNA)
where:
Base-Base interactions energy: -630.016
where: short stacking energy: -279.807
Base-Backbone interact. energy: -0.012
local terms energy: -252.315998
where:
bonds (distance) C4'-P energy: -41.501
bonds (distance) P-C4' energy: -38.924
flat angles C4'-P-C4' energy: -52.278
flat angles P-C4'-P energy: -39.444
tors. eta vs tors. theta energy: -80.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -884.740126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.740126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.740126 (E_RNA)
where:
Base-Base interactions energy: -627.710
where: short stacking energy: -268.830
Base-Backbone interact. energy: -0.234
local terms energy: -256.796956
where:
bonds (distance) C4'-P energy: -47.613
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -48.288
flat angles P-C4'-P energy: -35.312
tors. eta vs tors. theta energy: -85.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -797.884357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.884357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.884357 (E_RNA)
where:
Base-Base interactions energy: -567.236
where: short stacking energy: -242.687
Base-Backbone interact. energy: 1.637
local terms energy: -232.284797
where:
bonds (distance) C4'-P energy: -44.836
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -74.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -748.411133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.411133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.411133 (E_RNA)
where:
Base-Base interactions energy: -516.591
where: short stacking energy: -230.867
Base-Backbone interact. energy: 0.084
local terms energy: -231.904083
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -41.284
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -35.178
tors. eta vs tors. theta energy: -70.906
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: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -674.436796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.436796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.436796 (E_RNA)
where:
Base-Base interactions energy: -469.157
where: short stacking energy: -177.249
Base-Backbone interact. energy: 2.848
local terms energy: -208.128294
where:
bonds (distance) C4'-P energy: -38.205
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -46.810
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -598.697883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.697883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.697883 (E_RNA)
where:
Base-Base interactions energy: -407.873
where: short stacking energy: -175.923
Base-Backbone interact. energy: -0.194
local terms energy: -190.630712
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -36.982
flat angles C4'-P-C4' energy: -42.699
flat angles P-C4'-P energy: -30.096
tors. eta vs tors. theta energy: -60.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -469.111287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.111287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.111287 (E_RNA)
where:
Base-Base interactions energy: -299.078
where: short stacking energy: -128.892
Base-Backbone interact. energy: -1.114
local terms energy: -168.918467
where:
bonds (distance) C4'-P energy: -38.733
bonds (distance) P-C4' energy: -40.175
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -23.585
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: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -210.125513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.125513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.125513 (E_RNA)
where:
Base-Base interactions energy: -76.536
where: short stacking energy: -68.957
Base-Backbone interact. energy: -2.022
local terms energy: -131.567660
where:
bonds (distance) C4'-P energy: -34.366
bonds (distance) P-C4' energy: -37.418
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -211.204854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.204854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.204854 (E_RNA)
where:
Base-Base interactions energy: -74.991
where: short stacking energy: -74.991
Base-Backbone interact. energy: 0.647
local terms energy: -136.861429
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -25.664
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -892.258058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.258058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.258058 (E_RNA)
where:
Base-Base interactions energy: -634.091
where: short stacking energy: -268.774
Base-Backbone interact. energy: -0.190
local terms energy: -257.977124
where:
bonds (distance) C4'-P energy: -40.301
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -54.214
flat angles P-C4'-P energy: -35.669
tors. eta vs tors. theta energy: -79.037
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: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -908.573779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.573779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.573779 (E_RNA)
where:
Base-Base interactions energy: -635.634
where: short stacking energy: -276.005
Base-Backbone interact. energy: -0.354
local terms energy: -272.585831
where:
bonds (distance) C4'-P energy: -42.772
bonds (distance) P-C4' energy: -50.050
flat angles C4'-P-C4' energy: -53.873
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -85.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -890.182153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.182153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.182153 (E_RNA)
where:
Base-Base interactions energy: -634.792
where: short stacking energy: -258.722
Base-Backbone interact. energy: -0.171
local terms energy: -255.219425
where:
bonds (distance) C4'-P energy: -36.814
bonds (distance) P-C4' energy: -41.961
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: -82.405
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: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -782.833811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.833811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.833811 (E_RNA)
where:
Base-Base interactions energy: -535.857
where: short stacking energy: -241.236
Base-Backbone interact. energy: -0.598
local terms energy: -246.379489
where:
bonds (distance) C4'-P energy: -50.829
bonds (distance) P-C4' energy: -41.364
flat angles C4'-P-C4' energy: -48.538
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -71.662
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -706.554224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.554224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.554224 (E_RNA)
where:
Base-Base interactions energy: -486.516
where: short stacking energy: -190.604
Base-Backbone interact. energy: -1.191
local terms energy: -218.846945
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -41.793
flat angles C4'-P-C4' energy: -46.996
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -55.212
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: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -708.704387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.704387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.704387 (E_RNA)
where:
Base-Base interactions energy: -483.209
where: short stacking energy: -203.859
Base-Backbone interact. energy: 0.559
local terms energy: -226.053658
where:
bonds (distance) C4'-P energy: -31.086
bonds (distance) P-C4' energy: -47.482
flat angles C4'-P-C4' energy: -45.213
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -67.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -597.300039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.300039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.300039 (E_RNA)
where:
Base-Base interactions energy: -420.353
where: short stacking energy: -180.116
Base-Backbone interact. energy: 6.239
local terms energy: -183.185419
where:
bonds (distance) C4'-P energy: -32.163
bonds (distance) P-C4' energy: -46.209
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -26.212
tors. eta vs tors. theta energy: -45.443
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: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -434.921446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.921446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.921446 (E_RNA)
where:
Base-Base interactions energy: -270.231
where: short stacking energy: -145.291
Base-Backbone interact. energy: 1.250
local terms energy: -165.940690
where:
bonds (distance) C4'-P energy: -36.836
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -42.946
flat angles P-C4'-P energy: -19.097
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -220.797592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.797592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.797592 (E_RNA)
where:
Base-Base interactions energy: -83.042
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.674
local terms energy: -137.081222
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -40.821
flat angles C4'-P-C4' energy: -39.953
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -194.907231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.907231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907231 (E_RNA)
where:
Base-Base interactions energy: -70.789
where: short stacking energy: -60.448
Base-Backbone interact. energy: -0.175
local terms energy: -123.943112
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -43.405
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: 8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -907.181657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.181657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.181657 (E_RNA)
where:
Base-Base interactions energy: -634.581
where: short stacking energy: -277.261
Base-Backbone interact. energy: -0.336
local terms energy: -272.264581
where:
bonds (distance) C4'-P energy: -44.821
bonds (distance) P-C4' energy: -46.047
flat angles C4'-P-C4' energy: -58.227
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -84.926
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: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -888.190944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.190944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.190944 (E_RNA)
where:
Base-Base interactions energy: -628.033
where: short stacking energy: -270.582
Base-Backbone interact. energy: -0.085
local terms energy: -260.072390
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -45.493
flat angles C4'-P-C4' energy: -53.572
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -84.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -886.499940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.499940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.499940 (E_RNA)
where:
Base-Base interactions energy: -623.708
where: short stacking energy: -260.709
Base-Backbone interact. energy: -0.645
local terms energy: -262.147005
where:
bonds (distance) C4'-P energy: -44.637
bonds (distance) P-C4' energy: -41.563
flat angles C4'-P-C4' energy: -57.139
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -79.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -768.422299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.422299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.422299 (E_RNA)
where:
Base-Base interactions energy: -531.641
where: short stacking energy: -222.455
Base-Backbone interact. energy: -0.190
local terms energy: -236.590790
where:
bonds (distance) C4'-P energy: -43.017
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -61.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -711.444445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.444445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.444445 (E_RNA)
where:
Base-Base interactions energy: -493.208
where: short stacking energy: -209.172
Base-Backbone interact. energy: -0.739
local terms energy: -217.496994
where:
bonds (distance) C4'-P energy: -44.450
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -53.802
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -57.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -707.153774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.153774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.153774 (E_RNA)
where:
Base-Base interactions energy: -487.352
where: short stacking energy: -221.338
Base-Backbone interact. energy: -0.205
local terms energy: -219.596811
where:
bonds (distance) C4'-P energy: -35.074
bonds (distance) P-C4' energy: -36.080
flat angles C4'-P-C4' energy: -43.864
flat angles P-C4'-P energy: -31.563
tors. eta vs tors. theta energy: -73.017
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: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -634.217343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.217343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.217343 (E_RNA)
where:
Base-Base interactions energy: -435.560
where: short stacking energy: -181.738
Base-Backbone interact. energy: -0.328
local terms energy: -198.329810
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -45.800
flat angles C4'-P-C4' energy: -38.443
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -46.801
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: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -402.344286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.344286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.344286 (E_RNA)
where:
Base-Base interactions energy: -233.000
where: short stacking energy: -121.414
Base-Backbone interact. energy: -1.165
local terms energy: -168.179471
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -37.457
flat angles C4'-P-C4' energy: -42.101
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -20.747
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: 9, replica: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -226.858395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.858395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.858395 (E_RNA)
where:
Base-Base interactions energy: -87.233
where: short stacking energy: -73.551
Base-Backbone interact. energy: -0.680
local terms energy: -138.945694
where:
bonds (distance) C4'-P energy: -38.168
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -38.031
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -207.107583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.107583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.107583 (E_RNA)
where:
Base-Base interactions energy: -98.316
where: short stacking energy: -77.535
Base-Backbone interact. energy: -0.750
local terms energy: -108.042418
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -29.550
flat angles C4'-P-C4' energy: -32.322
flat angles P-C4'-P energy: -11.272
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)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 35871797
moves confirmed later: 39621282
all moves confirmed: 75493079
percent of confirmed moves: 9.436635
current total energy: -871.274556
recalc. total energy: -871.274556
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 30858854
moves confirmed later: 33138774
all moves confirmed: 63997628
percent of confirmed moves: 7.999703
current total energy: -829.868564
recalc. total energy: -829.868564
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 35236704
moves confirmed later: 38586351
all moves confirmed: 73823055
percent of confirmed moves: 9.227882
current total energy: -723.114315
recalc. total energy: -723.114315
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 36076710
moves confirmed later: 39791697
all moves confirmed: 75868407
percent of confirmed moves: 9.483551
current total energy: -835.547301
recalc. total energy: -835.547301
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 37735994
moves confirmed later: 41768027
all moves confirmed: 79504021
percent of confirmed moves: 9.938003
current total energy: -620.250124
recalc. total energy: -620.250124
replica 1 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 40310543
moves confirmed later: 45121897
all moves confirmed: 85432440
percent of confirmed moves: 10.679055
current total energy: -596.295169
recalc. total energy: -596.295169
replica 2 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 47758293
moves confirmed later: 54920568
all moves confirmed: 102678861
percent of confirmed moves: 12.834858
current total energy: -552.341328
recalc. total energy: -552.341328
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 63438219
moves confirmed later: 75189679
all moves confirmed: 138627898
percent of confirmed moves: 17.328487
current total energy: -330.517412
recalc. total energy: -330.517412
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 83860654
moves confirmed later: 101919866
all moves confirmed: 185780520
percent of confirmed moves: 23.222565
current total energy: -148.467067
recalc. total energy: -148.467067
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 85014155
moves confirmed later: 103275439
all moves confirmed: 188289594
percent of confirmed moves: 23.536199
current total energy: -104.065770
recalc. total energy: -104.065770
out arg RESULTS//1/8fcs-83464ff4_01
Time of doing 8000000 iterations: 13031.437 seconds